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

C17H15ClN4O2S — CID 58215794

IUPACN-[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cncc(-c2c(C#N)c3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C17H15ClN4O2S/c1-3-25(23,24)21-13-6-11(9-20-10-13)17-15(8-19)14-5-4-12(18)7-16(14)22(17)2/h4-7,9-10,21H,3H2,1-2H3
InChIKeyLTSIQEIUTMLEGP-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.53
Rot. Bonds4

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

N-[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide (PubChem CID 58215794) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide
PubChem CID58215794
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC NameN-[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cncc(-c2c(C#N)c3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C17H15ClN4O2S/c1-3-25(23,24)21-13-6-11(9-20-10-13)17-15(8-19)14-5-4-12(18)7-16(14)22(17)2/h4-7,9-10,21H,3H2,1-2H3
InChIKeyLTSIQEIUTMLEGP-UHFFFAOYSA-N
XLogP3.53
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.53
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]ethanesulfonamide?
The IUPAC name of N-[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide (CID 58215794) is N-[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1cncc(-c2c(C#N)c3ccc(Cl)cc3n2C)c1.
What is the InChIKey of N-[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide?
The InChIKey is LTSIQEIUTMLEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-3-25(23,24)21-13-6-11(9-20-10-13)17-15(8-19)14-5-4-12(18)7-16(14)22(17)2/h4-7,9-10,21H,3H2,1-2H3.
What are the key properties of N-[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide?
N-[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide has a molecular weight of 374.85 g/mol, XLogP of 3.53, 4 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]ethanesulfonamide is sourced from PubChem (CID 58215794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).