7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide

C20H20ClN3O3S — CID 108736272

IUPAC7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C20H20ClN3O3S/c21-17-5-3-4-15-12-18(23-19(15)17)20(25)22-13-14-6-8-16(9-7-14)28(26,27)24-10-1-2-11-24/h3-9,12,23H,1-2,10-11,13H2,(H,22,25)
InChIKeyVBOYVWAHHAMENU-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.54
Rot. Bonds5

About 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide

7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 108736272) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID108736272
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C20H20ClN3O3S/c21-17-5-3-4-15-12-18(23-19(15)17)20(25)22-13-14-6-8-16(9-7-14)28(26,27)24-10-1-2-11-24/h3-9,12,23H,1-2,10-11,13H2,(H,22,25)
InChIKeyVBOYVWAHHAMENU-UHFFFAOYSA-N
XLogP3.54
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 108791679
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
2-chloro-6-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736211
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 94042960
3-chloro-4-hydroxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18116541
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
2-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 17478720
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736275
7-chloro-1H-indole-2-carbohydrazide
CID 13466352

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide (CID 108736272) is 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is VBOYVWAHHAMENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c21-17-5-3-4-15-12-18(23-19(15)17)20(25)22-13-14-6-8-16(9-7-14)28(26,27)24-10-1-2-11-24/h3-9,12,23H,1-2,10-11,13H2,(H,22,25).
What are the key properties of 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide?
7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 108736272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).