N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide

C16H16ClN3O2S — CID 176509400

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide
SMILESC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccn2ccnc2c1
InChIInChI=1S/C16H16ClN3O2S/c1-12(13-3-5-14(17)6-4-13)19(2)23(21,22)15-7-9-20-10-8-18-16(20)11-15/h3-12H,1-2H3/t12-/m0/s1
InChIKeyWLKDKKJNYYFZCP-LBPRGKRZSA-N
MW349.84 g/mol
LogP3.37
Rot. Bonds4

About N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide (PubChem CID 176509400) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide
PubChem CID176509400
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide
SMILESC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccn2ccnc2c1
InChIInChI=1S/C16H16ClN3O2S/c1-12(13-3-5-14(17)6-4-13)19(2)23(21,22)15-7-9-20-10-8-18-16(20)11-15/h3-12H,1-2H3/t12-/m0/s1
InChIKeyWLKDKKJNYYFZCP-LBPRGKRZSA-N
XLogP3.37
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
CID 35391042
N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide
CID 176509409
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine
CID 168899219
3-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 51200624
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058
N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide
CID 61383758
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 61140353
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide
CID 18126056
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
CID 61045211
N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 51278432
N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 51200625

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide (CID 176509400) is N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide is C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccn2ccnc2c1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide?
The InChIKey is WLKDKKJNYYFZCP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-12(13-3-5-14(17)6-4-13)19(2)23(21,22)15-7-9-20-10-8-18-16(20)11-15/h3-12H,1-2H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide has a molecular weight of 349.84 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide is sourced from PubChem (CID 176509400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).