2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide

C26H25N3O6S2 — CID 11353212

IUPAC2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc4[nH]c(O)cc4c3)C2)cc1
InChIInChI=1S/C26H25N3O6S2/c1-36(32,33)24-5-3-2-4-22(24)17-6-8-18(9-7-17)26(31)29-13-12-20(16-29)28-37(34,35)21-10-11-23-19(14-21)15-25(30)27-23/h2-11,14-15,20,27-28,30H,12-13,16H2,1H3
InChIKeyNHZUKWCAFFYGOW-UHFFFAOYSA-N
MW539.64 g/mol
LogP3.14
Rot. Bonds6

About 2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide

2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide (PubChem CID 11353212) has the molecular formula C26H25N3O6S2 and a molecular weight of 539.64 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide
PubChem CID11353212
Molecular FormulaC26H25N3O6S2
Molecular Weight539.64 g/mol
Exact Mass539.12
IUPAC Name2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc4[nH]c(O)cc4c3)C2)cc1
InChIInChI=1S/C26H25N3O6S2/c1-36(32,33)24-5-3-2-4-22(24)17-6-8-18(9-7-17)26(31)29-13-12-20(16-29)28-37(34,35)21-10-11-23-19(14-21)15-25(30)27-23/h2-11,14-15,20,27-28,30H,12-13,16H2,1H3
InChIKeyNHZUKWCAFFYGOW-UHFFFAOYSA-N
XLogP3.14
TPSA136.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.64
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]pyrimidine-5-sulfonamide
CID 11488950
3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563684
N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118767374
4-methyl-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564412
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119411623
N-cyclopropyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120996105
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 38814852
[1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium
CID 20696588
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
1-[4-[4-(2-methylsulfonylphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587085
(4-methylphenyl)-[4-(3-methylsulfonyl-2-nitroanilino)piperidin-1-yl]methanone
CID 133432584
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide?
The IUPAC name of 2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide (CID 11353212) is 2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide.
What is the SMILES notation for 2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide?
The canonical SMILES for 2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide is CS(=O)(=O)c1ccccc1-c1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc4[nH]c(O)cc4c3)C2)cc1.
What is the InChIKey of 2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide?
The InChIKey is NHZUKWCAFFYGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6S2/c1-36(32,33)24-5-3-2-4-22(24)17-6-8-18(9-7-17)26(31)29-13-12-20(16-29)28-37(34,35)21-10-11-23-19(14-21)15-25(30)27-23/h2-11,14-15,20,27-28,30H,12-13,16H2,1H3.
What are the key properties of 2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide?
2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide has a molecular weight of 539.64 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]-1H-indole-5-sulfonamide is sourced from PubChem (CID 11353212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).