1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea

C14H10ClN3O3S — CID 14763066

IUPAC1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea
SMILESN#Cc1cccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H10ClN3O3S/c15-11-4-6-12(7-5-11)17-14(19)18-22(20,21)13-3-1-2-10(8-13)9-16/h1-8H,(H2,17,18,19)
InChIKeyFUYNHXMTLDDXJN-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.72
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea

1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea (PubChem CID 14763066) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea
PubChem CID14763066
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea
SMILESN#Cc1cccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H10ClN3O3S/c15-11-4-6-12(7-5-11)17-14(19)18-22(20,21)13-3-1-2-10(8-13)9-16/h1-8H,(H2,17,18,19)
InChIKeyFUYNHXMTLDDXJN-UHFFFAOYSA-N
XLogP2.72
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
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1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
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2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide
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1,3-bis[(3-chlorophenyl)sulfonyl]urea
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1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
CID 107808212
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide
CID 75403994
N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide
CID 8500499
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
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1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea
CID 19783515

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea (CID 14763066) is 1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea is N#Cc1cccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea?
The InChIKey is FUYNHXMTLDDXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-11-4-6-12(7-5-11)17-14(19)18-22(20,21)13-3-1-2-10(8-13)9-16/h1-8H,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea?
1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea has a molecular weight of 335.77 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea is sourced from PubChem (CID 14763066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).