2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide

C15H15ClN4O2S — CID 129337743

IUPAC2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)c(Cl)c1
InChIInChI=1S/C15H15ClN4O2S/c16-13-7-11(9-17)1-2-14(13)23(21,22)19-10-12-3-5-20-6-4-18-15(20)8-12/h1-2,4,6-7,12,19H,3,5,8,10H2/t12-/m0/s1
InChIKeySQOAXPUPOLMDEE-LBPRGKRZSA-N
MW350.83 g/mol
LogP1.95
Rot. Bonds4

About 2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide

2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide (PubChem CID 129337743) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
PubChem CID129337743
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC Name2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)c(Cl)c1
InChIInChI=1S/C15H15ClN4O2S/c16-13-7-11(9-17)1-2-14(13)23(21,22)19-10-12-3-5-20-6-4-18-15(20)8-12/h1-2,4,6-7,12,19H,3,5,8,10H2/t12-/m0/s1
InChIKeySQOAXPUPOLMDEE-LBPRGKRZSA-N
XLogP1.95
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
CID 129337322
2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 129338244
4-chloro-3-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 129003002
2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 129005301
4-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 129342081
2-chloro-5-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 128997553
5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide
CID 129339275
6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 129328655
2,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)thiophene-3-sulfonamide
CID 128967311
4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide
CID 129006299
5-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129334999
5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129335423

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide (CID 129337743) is 2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide?
The InChIKey is SQOAXPUPOLMDEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15ClN4O2S/c16-13-7-11(9-17)1-2-14(13)23(21,22)19-10-12-3-5-20-6-4-18-15(20)8-12/h1-2,4,6-7,12,19H,3,5,8,10H2/t12-/m0/s1.
What are the key properties of 2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide?
2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide has a molecular weight of 350.83 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 129337743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).