1-benzyl-3-(2-chlorophenyl)sulfonylurea

C14H13ClN2O3S — CID 744686

IUPAC1-benzyl-3-(2-chlorophenyl)sulfonylurea
SMILESO=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H13ClN2O3S/c15-12-8-4-5-9-13(12)21(19,20)17-14(18)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,17,18)
InChIKeyJDJUKEYRNIQOCV-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.53
Rot. Bonds4

About 1-benzyl-3-(2-chlorophenyl)sulfonylurea

1-benzyl-3-(2-chlorophenyl)sulfonylurea (PubChem CID 744686) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 1-benzyl-3-(2-chlorophenyl)sulfonylurea.

Molecular Properties

Compound Name1-benzyl-3-(2-chlorophenyl)sulfonylurea
PubChem CID744686
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name1-benzyl-3-(2-chlorophenyl)sulfonylurea
SMILESO=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H13ClN2O3S/c15-12-8-4-5-9-13(12)21(19,20)17-14(18)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,17,18)
InChIKeyJDJUKEYRNIQOCV-UHFFFAOYSA-N
XLogP2.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-Chlorobenzene)sulfonyl]-1-({4-[({[(3-chlorobenzene)sulfonyl]carbamoyl}amino)methyl]phenyl}methyl)urea
CID 24963320
{[(4-chlorophenyl)methyl]amino}-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 2103195
4-[({[(4-Chlorobenzyl)amino]carbonothioyl}amino)methyl]benzenesulfonamide
CID 2208056
N-[(3-chlorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 9204198
4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 9207918
1-(2-Chlorophenyl)sulfonyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 101874828
1-(4-Chlorophenyl)sulfonyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 101874829
N-{[(4-fluorobenzyl)amino]carbonyl}-4-methylbenzenesulfonamide
CID 845918
N-(benzylcarbamoyl)-4-methylbenzenesulfonamide
CID 788085
1-[3-(4-Chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 142727589
1-(4-Chlorophenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 44319945
[(4-Sulfamoylphenyl)methyl]urea
CID 17605733

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-chlorophenyl)sulfonylurea?
The IUPAC name of 1-benzyl-3-(2-chlorophenyl)sulfonylurea (CID 744686) is 1-benzyl-3-(2-chlorophenyl)sulfonylurea.
What is the SMILES notation for 1-benzyl-3-(2-chlorophenyl)sulfonylurea?
The canonical SMILES for 1-benzyl-3-(2-chlorophenyl)sulfonylurea is O=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 1-benzyl-3-(2-chlorophenyl)sulfonylurea?
The InChIKey is JDJUKEYRNIQOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-12-8-4-5-9-13(12)21(19,20)17-14(18)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,17,18).
What are the key properties of 1-benzyl-3-(2-chlorophenyl)sulfonylurea?
1-benzyl-3-(2-chlorophenyl)sulfonylurea has a molecular weight of 324.79 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-chlorophenyl)sulfonylurea is sourced from PubChem (CID 744686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).