1-benzyl-3-(4-sulfamoylphenyl)urea

C14H15N3O3S — CID 20694083

IUPAC1-benzyl-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C14H15N3O3S/c15-21(19,20)13-8-6-12(7-9-13)17-14(18)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18)
InChIKeyISUQWNITGXDZNG-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.66
Rot. Bonds4

About 1-benzyl-3-(4-sulfamoylphenyl)urea

1-benzyl-3-(4-sulfamoylphenyl)urea (PubChem CID 20694083) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-benzyl-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(4-sulfamoylphenyl)urea
PubChem CID20694083
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-benzyl-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C14H15N3O3S/c15-21(19,20)13-8-6-12(7-9-13)17-14(18)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18)
InChIKeyISUQWNITGXDZNG-UHFFFAOYSA-N
XLogP1.66
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
Slc-0111
CID 310360
1-Phenyl-3-(p-toluenesulfonyl)urea
CID 847415
3-(3-Phenyl-ureido)-benzenesulfonamide
CID 2812287
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
1-(2-Cyanophenyl)-3-(4-sulfamoylphenyl)urea
CID 2476733
4-({[2-(1-Methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
CID 50909908
4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide
CID 2813478
N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
CID 6852128
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
({[4-(Dimethylamino)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815701
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-benzyl-3-(4-sulfamoylphenyl)urea (CID 20694083) is 1-benzyl-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-benzyl-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-(4-sulfamoylphenyl)urea?
The InChIKey is ISUQWNITGXDZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-21(19,20)13-8-6-12(7-9-13)17-14(18)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18).
What are the key properties of 1-benzyl-3-(4-sulfamoylphenyl)urea?
1-benzyl-3-(4-sulfamoylphenyl)urea has a molecular weight of 305.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 20694083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).