1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea

C15H15ClN2O3S — CID 2103195

IUPAC1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O3S/c1-11-2-8-14(9-3-11)22(20,21)18-15(19)17-10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyNSLLGKWFCGNVBD-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.84
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea

1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 2103195) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID2103195
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O3S/c1-11-2-8-14(9-3-11)22(20,21)18-15(19)17-10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyNSLLGKWFCGNVBD-UHFFFAOYSA-N
XLogP2.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 3970972
4-[2-[(4-Chlorophenyl)methylamino]ethyl]benzenesulfonamide
CID 4722330
N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
3-[(3-Chlorobenzene)sulfonyl]-1-({4-[({[(3-chlorobenzene)sulfonyl]carbamoyl}amino)methyl]phenyl}methyl)urea
CID 24963320
N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide
CID 17414308
N-(benzylcarbamoyl)-2-chlorobenzenesulfonamide
CID 744686
4-[({[(4-Chlorobenzyl)amino]carbonothioyl}amino)methyl]benzenesulfonamide
CID 2208056
4-({[(Dimethylamino)carbonyl]amino}methyl)benzenesulfonamide
CID 2227132
N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2382503
N-(3-chlorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide
CID 7388136
4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 9207918
1-(2-Chlorophenyl)sulfonyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 101874828

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea (CID 2103195) is 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is NSLLGKWFCGNVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-11-2-8-14(9-3-11)22(20,21)18-15(19)17-10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea?
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 338.82 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 2103195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).