1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea

C14H15N3O3S — CID 51970987

IUPAC1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
SMILESNS(=O)(=O)c1cccc(CNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H15N3O3S/c15-21(19,20)13-8-4-5-11(9-13)10-16-14(18)17-12-6-2-1-3-7-12/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18)
InChIKeyVHNFMOVINDLTMI-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.66
Rot. Bonds4

About 1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea

1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea (PubChem CID 51970987) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
PubChem CID51970987
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
SMILESNS(=O)(=O)c1cccc(CNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H15N3O3S/c15-21(19,20)13-8-4-5-11(9-13)10-16-14(18)17-12-6-2-1-3-7-12/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18)
InChIKeyVHNFMOVINDLTMI-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

1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
1-[(2R)-2-benzyl-3-methylbutyl]-3-[(3-sulfamoylphenyl)methyl]urea
CID 124732637
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
CID 110472246
2-[2-oxo-2-[(3-sulfamoylphenyl)methylamino]ethyl]sulfanylacetic acid
CID 104569122
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea
CID 55909410
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
2-hydroxyethyl N-[(3-sulfamoylphenyl)methyl]carbamate
CID 79349048
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
4-hydroxy-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 79192761
1-[3-(benzylsulfamoyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231284

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea?
The IUPAC name of 1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea (CID 51970987) is 1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea.
What is the SMILES notation for 1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea?
The canonical SMILES for 1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea is NS(=O)(=O)c1cccc(CNC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea?
The InChIKey is VHNFMOVINDLTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-21(19,20)13-8-4-5-11(9-13)10-16-14(18)17-12-6-2-1-3-7-12/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18).
What are the key properties of 1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea?
1-phenyl-3-[(3-sulfamoylphenyl)methyl]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-phenyl-3-[(3-sulfamoylphenyl)methyl]urea is sourced from PubChem (CID 51970987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).