4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide

C16H22N4O2S — CID 148692042

IUPAC4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCCCC2)c(-c2cnc[nH]2)c1
InChIInChI=1S/C16H22N4O2S/c1-17-23(21,22)13-7-8-15(20-12-5-3-2-4-6-12)14(9-13)16-10-18-11-19-16/h7-12,17,20H,2-6H2,1H3,(H,18,19)
InChIKeyNTRDPTJQPIQFOA-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.73
Rot. Bonds5

About 4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide

4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide (PubChem CID 148692042) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide
PubChem CID148692042
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCCCC2)c(-c2cnc[nH]2)c1
InChIInChI=1S/C16H22N4O2S/c1-17-23(21,22)13-7-8-15(20-12-5-3-2-4-6-12)14(9-13)16-10-18-11-19-16/h7-12,17,20H,2-6H2,1H3,(H,18,19)
InChIKeyNTRDPTJQPIQFOA-UHFFFAOYSA-N
XLogP2.73
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-imidazol-5-yl)-N-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 163393308
N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide
CID 156548701
4-(cyclohexylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 9186979
N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine
CID 43722407
4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide
CID 159194940
4-cyclohexyloxy-N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide
CID 54675598
4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide
CID 157246135
N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62873281
3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
CID 61069538
3-acetamido-4-(cyclohexylamino)benzenesulfonic acid
CID 154273658
5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid
CID 99982225
bromoethane;4-(cyclohexylamino)-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-(2-ethyltetrazol-5-yl)-N-methylbenzenesulfonamide;methane
CID 157072938

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide (CID 148692042) is 4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CCCCC2)c(-c2cnc[nH]2)c1.
What is the InChIKey of 4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide?
The InChIKey is NTRDPTJQPIQFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-17-23(21,22)13-7-8-15(20-12-5-3-2-4-6-12)14(9-13)16-10-18-11-19-16/h7-12,17,20H,2-6H2,1H3,(H,18,19).
What are the key properties of 4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide?
4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide has a molecular weight of 334.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 148692042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).