1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea

C14H21N3O3S — CID 11259

💊View drug profile → metahexamide
IUPAC1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1N
InChIInChI=1S/C14H21N3O3S/c1-10-7-8-12(9-13(10)15)21(19,20)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3,(H2,16,17,18)
InChIKeyXXYTXQGCRQLRHA-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.90
Rot. Bonds3

About 1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea

1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea (PubChem CID 11259) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea
PubChem CID11259
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1N
InChIInChI=1S/C14H21N3O3S/c1-10-7-8-12(9-13(10)15)21(19,20)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3,(H2,16,17,18)
InChIKeyXXYTXQGCRQLRHA-UHFFFAOYSA-N
XLogP1.90
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-Phenyl-3-(p-toluenesulfonyl)urea
CID 847415
2-amino-N,N-dimethyltoluene-4-sulphonamide
CID 235528
({[4-(Dimethylamino)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815701
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
Carbonic anhydrase inhibitor 3
CID 38150302
1-(4-Iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 60446203
3-(3-Methyl-3-phenethylureido)benzenesulfonamide
CID 157049317
1-Phenethyl-3-(4-sulfamoylphenyl)urea
CID 482060
N-{2-[(cyclohexylamino)methyl]phenyl}-4-methylbenzenesulfonamide
CID 1309591
1-(3,5-Dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea
CID 2812298
1-(2-Phenylethyl)-3-(3-sulfamoylphenyl)urea
CID 38157008

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea?
The IUPAC name of 1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea (CID 11259) is 1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea?
The canonical SMILES for 1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea is Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea?
The InChIKey is XXYTXQGCRQLRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-7-8-12(9-13(10)15)21(19,20)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea?
1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea has a molecular weight of 311.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea is sourced from PubChem (CID 11259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).