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Home > Indoles and Oxindole > 661467-88-5
661467-88-5 | 1H-Indole-2-carboxamide, 5-chloro-3-(1-pyrrolidinylsulfonyl)-
CAS No: 661467-88-5 Catalog No: AG00H7VS MDL No:
Product Description
Catalog Number:
AG00H7VS
Chemical Name:
1H-Indole-2-carboxamide, 5-chloro-3-(1-pyrrolidinylsulfonyl)-
CAS Number:
661467-88-5
Molecular Formula:
C13H14ClN3O3S
Molecular Weight:
327.7866
IUPAC Name:
5-chloro-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide
InChI:
InChI=1S/C13H14ClN3O3S/c14-8-3-4-10-9(7-8)12(11(16-10)13(15)18)21(19,20)17-5-1-2-6-17/h3-4,7,16H,1-2,5-6H2,(H2,15,18)
InChI Key:
DARVQYMHLCLCKU-UHFFFAOYSA-N
SMILES:
NC(=O)c1[nH]c2c(c1S(=O)(=O)N1CCCC1)cc(cc2)Cl
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.044g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.783g/mol
Monoisotopic Mass:
327.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Novel indole-3-sulfonamides as potent HIV non-nucleoside reverse transcriptase inhibitors (NNRTIs). | Bioorganic & medicinal chemistry letters 20080115 |
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