1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea

C21H20ClN3O3S — CID 2224609

IUPAC1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H20ClN3O3S/c1-14-5-3-6-15(2)20(14)25-29(27,28)19-11-9-17(10-12-19)23-21(26)24-18-8-4-7-16(22)13-18/h3-13,25H,1-2H3,(H2,23,24,26)
InChIKeyKTDSLHFIAWIDKT-UHFFFAOYSA-N
MW429.93 g/mol
LogP5.40
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea

1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea (PubChem CID 2224609) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea
PubChem CID2224609
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC Name1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H20ClN3O3S/c1-14-5-3-6-15(2)20(14)25-29(27,28)19-11-9-17(10-12-19)23-21(26)24-18-8-4-7-16(22)13-18/h3-13,25H,1-2H3,(H2,23,24,26)
InChIKeyKTDSLHFIAWIDKT-UHFFFAOYSA-N
XLogP5.40
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.93
LogP ≤ 55.40
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
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea
CID 1226693
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
1-(3-chlorophenyl)-3-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]urea
CID 17052588
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea
CID 2958009
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide
CID 70122226
2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43908669
1-(3-chlorophenyl)-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 54782827

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea (CID 2224609) is 1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea?
The InChIKey is KTDSLHFIAWIDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-14-5-3-6-15(2)20(14)25-29(27,28)19-11-9-17(10-12-19)23-21(26)24-18-8-4-7-16(22)13-18/h3-13,25H,1-2H3,(H2,23,24,26).
What are the key properties of 1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea?
1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea has a molecular weight of 429.93 g/mol, XLogP of 5.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 2224609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).