1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea

C19H16ClN3O3S — CID 16615674

IUPAC1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O3S/c20-14-10-12-16(13-11-14)27(25,26)23-18-9-5-4-8-17(18)22-19(24)21-15-6-2-1-3-7-15/h1-13,23H,(H2,21,22,24)
InChIKeyIXALHVLHGNABSL-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.78
Rot. Bonds5

About 1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea

1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea (PubChem CID 16615674) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
PubChem CID16615674
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O3S/c20-14-10-12-16(13-11-14)27(25,26)23-18-9-5-4-8-17(18)22-19(24)21-15-6-2-1-3-7-15/h1-13,23H,(H2,21,22,24)
InChIKeyIXALHVLHGNABSL-UHFFFAOYSA-N
XLogP4.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171352632
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 66863129
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
2-(4-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 4936631

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea?
The IUPAC name of 1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea (CID 16615674) is 1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea?
The InChIKey is IXALHVLHGNABSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-14-10-12-16(13-11-14)27(25,26)23-18-9-5-4-8-17(18)22-19(24)21-15-6-2-1-3-7-15/h1-13,23H,(H2,21,22,24).
What are the key properties of 1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea?
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea has a molecular weight of 401.88 g/mol, XLogP of 4.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea is sourced from PubChem (CID 16615674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).