6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide

C20H21N5O3S — CID 135496241

IUPAC6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc2c(-c3ccc(S(=O)(=O)NCCN4CCCC4)cn3)c(O)[nH]c2c1
InChIInChI=1S/C20H21N5O3S/c21-12-14-3-5-16-18(11-14)24-20(26)19(16)17-6-4-15(13-22-17)29(27,28)23-7-10-25-8-1-2-9-25/h3-6,11,13,23-24,26H,1-2,7-10H2
InChIKeyNSHKYQGOBRUHEE-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.18
Rot. Bonds6

About 6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide

6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide (PubChem CID 135496241) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
PubChem CID135496241
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc2c(-c3ccc(S(=O)(=O)NCCN4CCCC4)cn3)c(O)[nH]c2c1
InChIInChI=1S/C20H21N5O3S/c21-12-14-3-5-16-18(11-14)24-20(26)19(16)17-6-4-15(13-22-17)29(27,28)23-7-10-25-8-1-2-9-25/h3-6,11,13,23-24,26H,1-2,7-10H2
InChIKeyNSHKYQGOBRUHEE-UHFFFAOYSA-N
XLogP2.18
TPSA122.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide with MolForge

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Related Compounds

but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 173121140
2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile
CID 135442674
2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 103989092
3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile
CID 141195605
4-hydroxy-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60656162
4-[[7-(5-cyano-2-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 11713440
7-cyano-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693625
3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 24737617
4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 143457102
4-cyano-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327763
3-cyano-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994501
N-[2-(azepan-1-yl)ethyl]-4-(bromomethyl)benzenesulfonamide
CID 65481222

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide (CID 135496241) is 6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide is N#Cc1ccc2c(-c3ccc(S(=O)(=O)NCCN4CCCC4)cn3)c(O)[nH]c2c1.
What is the InChIKey of 6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The InChIKey is NSHKYQGOBRUHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c21-12-14-3-5-16-18(11-14)24-20(26)19(16)17-6-4-15(13-22-17)29(27,28)23-7-10-25-8-1-2-9-25/h3-6,11,13,23-24,26H,1-2,7-10H2.
What are the key properties of 6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide has a molecular weight of 411.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 135496241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).