5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide

C16H15ClN4O2S — CID 46595754

IUPAC5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(c2ccccc2)c2ccccn2)c1Cl
InChIInChI=1S/C16H15ClN4O2S/c1-21-11-19-16(15(21)17)24(22,23)20-14(12-7-3-2-4-8-12)13-9-5-6-10-18-13/h2-11,14,20H,1H3
InChIKeyRFIDPZOOYBCTPC-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.54
Rot. Bonds5

About 5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide (PubChem CID 46595754) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
PubChem CID46595754
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(c2ccccc2)c2ccccn2)c1Cl
InChIInChI=1S/C16H15ClN4O2S/c1-21-11-19-16(15(21)17)24(22,23)20-14(12-7-3-2-4-8-12)13-9-5-6-10-18-13/h2-11,14,20H,1H3
InChIKeyRFIDPZOOYBCTPC-UHFFFAOYSA-N
XLogP2.54
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide
CID 35305898
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 39794094
4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 51169894
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357201
5-chloro-1-methyl-N-(1-naphthalen-2-ylethyl)imidazole-4-sulfonamide
CID 134035693
N-[(R)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 32945038
methyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]-2-pyridin-3-ylacetate
CID 167836918
N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
CID 47164706
3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 92786137

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide (CID 46595754) is 5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC(c2ccccc2)c2ccccn2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is RFIDPZOOYBCTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c1-21-11-19-16(15(21)17)24(22,23)20-14(12-7-3-2-4-8-12)13-9-5-6-10-18-13/h2-11,14,20H,1H3.
What are the key properties of 5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 362.84 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 46595754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).