1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea

C14H13Cl2N3O3S — CID 90644480

IUPAC1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cc(NC(=O)NCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O3S/c15-10-6-11(16)13(23(17,21)22)7-12(10)19-14(20)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,21,22)(H2,18,19,20)
InChIKeyACXGLSVXHSHQKI-UHFFFAOYSA-N
MW374.25 g/mol
LogP2.96
Rot. Bonds4

About 1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea

1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea (PubChem CID 90644480) has the molecular formula C14H13Cl2N3O3S and a molecular weight of 374.25 g/mol. Its IUPAC name is 1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea
PubChem CID90644480
Molecular FormulaC14H13Cl2N3O3S
Molecular Weight374.25 g/mol
Exact Mass373.01
IUPAC Name1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cc(NC(=O)NCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O3S/c15-10-6-11(16)13(23(17,21)22)7-12(10)19-14(20)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,21,22)(H2,18,19,20)
InChIKeyACXGLSVXHSHQKI-UHFFFAOYSA-N
XLogP2.96
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea?
The IUPAC name of 1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea (CID 90644480) is 1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea?
The canonical SMILES for 1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea is NS(=O)(=O)c1cc(NC(=O)NCc2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of 1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea?
The InChIKey is ACXGLSVXHSHQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3S/c15-10-6-11(16)13(23(17,21)22)7-12(10)19-14(20)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea?
1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea has a molecular weight of 374.25 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea is sourced from PubChem (CID 90644480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).