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

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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).