1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea

C20H18ClN3O3S — CID 4830051

IUPAC1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C20H18ClN3O3S/c1-14-3-2-4-18(13-14)23-20(25)22-16-9-11-19(12-10-16)28(26,27)24-17-7-5-15(21)6-8-17/h2-13,24H,1H3,(H2,22,23,25)
InChIKeySXGUYINVTNEICO-UHFFFAOYSA-N
MW415.90 g/mol
LogP5.09
Rot. Bonds5

About 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea

1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea (PubChem CID 4830051) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
PubChem CID4830051
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C20H18ClN3O3S/c1-14-3-2-4-18(13-14)23-20(25)22-16-9-11-19(12-10-16)28(26,27)24-17-7-5-15(21)6-8-17/h2-13,24H,1H3,(H2,22,23,25)
InChIKeySXGUYINVTNEICO-UHFFFAOYSA-N
XLogP5.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.90
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]urea
CID 1226691
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
1-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)thiourea
CID 19679968
1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea
CID 2224609
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986001
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 94783611
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
1-(3-chlorophenyl)-3-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]urea
CID 17052588
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126415837
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 100532256

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea (CID 4830051) is 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea?
The InChIKey is SXGUYINVTNEICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-14-3-2-4-18(13-14)23-20(25)22-16-9-11-19(12-10-16)28(26,27)24-17-7-5-15(21)6-8-17/h2-13,24H,1H3,(H2,22,23,25).
What are the key properties of 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea?
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea has a molecular weight of 415.90 g/mol, XLogP of 5.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 4830051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).