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

C16H18N4O2S — CID 129337322

IUPAC5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCn2ccnc2C1
InChIInChI=1S/C16H18N4O2S/c1-12-2-3-13(10-17)8-15(12)23(21,22)19-11-14-4-6-20-7-5-18-16(20)9-14/h2-3,5,7-8,14,19H,4,6,9,11H2,1H3/t14-/m0/s1
InChIKeySCIMMFNAKBUJIY-AWEZNQCLSA-N
MW330.41 g/mol
LogP1.60
Rot. Bonds4

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

5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide (PubChem CID 129337322) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
PubChem CID129337322
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCn2ccnc2C1
InChIInChI=1S/C16H18N4O2S/c1-12-2-3-13(10-17)8-15(12)23(21,22)19-11-14-4-6-20-7-5-18-16(20)9-14/h2-3,5,7-8,14,19H,4,6,9,11H2,1H3/t14-/m0/s1
InChIKeySCIMMFNAKBUJIY-AWEZNQCLSA-N
XLogP1.60
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
CID 129337743
2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 129005301
4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide
CID 129006299
2,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)thiophene-3-sulfonamide
CID 128967311
5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide
CID 129339275
4-chloro-3-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 129003002
5-cyano-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563212
5-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129334999
5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129332677
2-chloro-5-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 128997553
4-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 129342081
2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 129338244

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide?
The IUPAC name of 5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide (CID 129337322) is 5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide?
The canonical SMILES for 5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide is Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCn2ccnc2C1.
What is the InChIKey of 5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide?
The InChIKey is SCIMMFNAKBUJIY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-12-2-3-13(10-17)8-15(12)23(21,22)19-11-14-4-6-20-7-5-18-16(20)9-14/h2-3,5,7-8,14,19H,4,6,9,11H2,1H3/t14-/m0/s1.
What are the key properties of 5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide?
5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 129337322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).