N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide

C18H17ClN4O2S — CID 58215635

IUPACN-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cncc(-c2c(C#N)c3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C18H17ClN4O2S/c1-3-26(24,25)22-10-12-6-13(11-21-9-12)18-16(8-20)15-5-4-14(19)7-17(15)23(18)2/h4-7,9,11,22H,3,10H2,1-2H3
InChIKeyUNQXIRZDOXDTMH-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.20
Rot. Bonds5

About N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide

N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide (PubChem CID 58215635) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
PubChem CID58215635
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC NameN-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cncc(-c2c(C#N)c3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C18H17ClN4O2S/c1-3-26(24,25)22-10-12-6-13(11-21-9-12)18-16(8-20)15-5-4-14(19)7-17(15)23(18)2/h4-7,9,11,22H,3,10H2,1-2H3
InChIKeyUNQXIRZDOXDTMH-UHFFFAOYSA-N
XLogP3.20
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide with MolForge

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Related Compounds

2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide
CID 25205477
4-[6-Chloro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 44388950
4-(6-Chloro-3-piperidin-4-yl-indole-1-sulfonyl)-phenylamine
CID 44388956
6-(5-chloro-3-cyano-1-cyclobutyl-indol-2-yl)-N-isopropyl-pyridine-3-sulfonamide
CID 46940601
N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
CID 58215744
6-Chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile
CID 58215749
ethanesulfonic acid [5-(6-chloro-3-cyano-1-methyl-1H-indol-2-yl)-pyridin-3-yl]-amide
CID 58215794
Ethanesulfonic acid [5-(3-cyano-1-methyl-1h-indol-2-yl)-pyridin-3-yl]-amide
CID 59534652
N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
CID 59578413
6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoro-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66733372
N-(1-(3-(4-chlorophenyl)pentan-3-yl)-1H-indol-4-yl)methanesulfonamide
CID 70561849
1-(3-Chlorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 137656063

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide (CID 58215635) is N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cncc(-c2c(C#N)c3ccc(Cl)cc3n2C)c1.
What is the InChIKey of N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The InChIKey is UNQXIRZDOXDTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-3-26(24,25)22-10-12-6-13(11-21-9-12)18-16(8-20)15-5-4-14(19)7-17(15)23(18)2/h4-7,9,11,22H,3,10H2,1-2H3.
What are the key properties of N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide is sourced from PubChem (CID 58215635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).