1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea

C19H16ClN3O4S — CID 138041549

IUPAC1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2O)c1
InChIInChI=1S/C19H16ClN3O4S/c20-16-10-5-11-17(18(16)24)28(26,27)23-15-9-4-8-14(12-15)22-19(25)21-13-6-2-1-3-7-13/h1-12,23-24H,(H2,21,22,25)
InChIKeyKOKTUUJOKBAXDI-UHFFFAOYSA-N
MW417.87 g/mol
LogP4.49
Rot. Bonds5

About 1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea

1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea (PubChem CID 138041549) has the molecular formula C19H16ClN3O4S and a molecular weight of 417.87 g/mol. Its IUPAC name is 1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea
PubChem CID138041549
Molecular FormulaC19H16ClN3O4S
Molecular Weight417.87 g/mol
Exact Mass417.06
IUPAC Name1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2O)c1
InChIInChI=1S/C19H16ClN3O4S/c20-16-10-5-11-17(18(16)24)28(26,27)23-15-9-4-8-14(12-15)22-19(25)21-13-6-2-1-3-7-13/h1-12,23-24H,(H2,21,22,25)
InChIKeyKOKTUUJOKBAXDI-UHFFFAOYSA-N
XLogP4.49
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2-nitrophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 31075653
1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075764
1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
CID 25348337
3,4-dimethyl-5-[[3-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid
CID 24622089
1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36512082
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
1-[3-[(4-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622040
1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075750
1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea
CID 55731026
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622073
1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511529
1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 70667544

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea?
The IUPAC name of 1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea (CID 138041549) is 1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2O)c1.
What is the InChIKey of 1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea?
The InChIKey is KOKTUUJOKBAXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S/c20-16-10-5-11-17(18(16)24)28(26,27)23-15-9-4-8-14(12-15)22-19(25)21-13-6-2-1-3-7-13/h1-12,23-24H,(H2,21,22,25).
What are the key properties of 1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea?
1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea has a molecular weight of 417.87 g/mol, XLogP of 4.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea is sourced from PubChem (CID 138041549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).