[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea

C14H21N3O3S — CID 135231517

IUPAC[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H21N3O3S/c1-17(12-5-3-2-4-6-12)21(19,20)13-9-7-11(8-10-13)16-14(15)18/h7-10,12H,2-6H2,1H3,(H3,15,16,18)
InChIKeySBNVNWQRJYFDIM-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.13
Rot. Bonds4

About [4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea

[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea (PubChem CID 135231517) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is [4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
PubChem CID135231517
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H21N3O3S/c1-17(12-5-3-2-4-6-12)21(19,20)13-9-7-11(8-10-13)16-14(15)18/h7-10,12H,2-6H2,1H3,(H3,15,16,18)
InChIKeySBNVNWQRJYFDIM-UHFFFAOYSA-N
XLogP2.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 4777920
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dimethylbenzamide
CID 52894118
[2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199124
(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6231737
2,3-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 26906917
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26906898
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871

Frequently Asked Questions

What is the IUPAC name of [4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea?
The IUPAC name of [4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea (CID 135231517) is [4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea.
What is the SMILES notation for [4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea?
The canonical SMILES for [4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea?
The InChIKey is SBNVNWQRJYFDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-17(12-5-3-2-4-6-12)21(19,20)13-9-7-11(8-10-13)16-14(15)18/h7-10,12H,2-6H2,1H3,(H3,15,16,18).
What are the key properties of [4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea?
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea has a molecular weight of 311.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 135231517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).