1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea

C14H15N3O3S — CID 10614528

IUPAC1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea
SMILESNS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H15N3O3S/c15-21(19,20)13-8-6-11(7-9-13)10-16-14(18)17-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18)
InChIKeyYCVAPBGCROQSKB-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.66
Rot. Bonds4

About 1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea

1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea (PubChem CID 10614528) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea
PubChem CID10614528
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea
SMILESNS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H15N3O3S/c15-21(19,20)13-8-6-11(7-9-13)10-16-14(18)17-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18)
InChIKeyYCVAPBGCROQSKB-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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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea?
The IUPAC name of 1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea (CID 10614528) is 1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea.
What is the SMILES notation for 1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea?
The canonical SMILES for 1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea is NS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea?
The InChIKey is YCVAPBGCROQSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-21(19,20)13-8-6-11(7-9-13)10-16-14(18)17-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18).
What are the key properties of 1-phenyl-3-[(4-sulfamoylphenyl)methyl]urea?
1-phenyl-3-[(4-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-[(4-sulfamoylphenyl)methyl]urea is sourced from PubChem (CID 10614528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).