4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide

C18H14Cl2N2O3S2 — CID 24537837

IUPAC4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14Cl2N2O3S2/c19-13-4-6-14(7-5-13)22-27(24,25)17-10-12(3-8-16(17)20)18(23)21-11-15-2-1-9-26-15/h1-10,22H,11H2,(H,21,23)
InChIKeyXRRZJFFKWTZVLV-UHFFFAOYSA-N
MW441.36 g/mol
LogP4.79
Rot. Bonds6

About 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide

4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 24537837) has the molecular formula C18H14Cl2N2O3S2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID24537837
Molecular FormulaC18H14Cl2N2O3S2
Molecular Weight441.36 g/mol
Exact Mass439.98
IUPAC Name4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14Cl2N2O3S2/c19-13-4-6-14(7-5-13)22-27(24,25)17-10-12(3-8-16(17)20)18(23)21-11-15-2-1-9-26-15/h1-10,22H,11H2,(H,21,23)
InChIKeyXRRZJFFKWTZVLV-UHFFFAOYSA-N
XLogP4.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 35008871
5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 78838843
4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55597318
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(thiophen-2-ylmethyl)acetamide
CID 35009367
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
CID 126414386
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 2342892
N-(4-chlorophenyl)-3-[(3-thiophen-2-ylpropanoylamino)carbamoyl]benzenesulfonamide
CID 24540531
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxypropyl)benzamide
CID 78803253
2,4-dichloro-5-(2-methylpropylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78785955

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide (CID 24537837) is 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is XRRZJFFKWTZVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S2/c19-13-4-6-14(7-5-13)22-27(24,25)17-10-12(3-8-16(17)20)18(23)21-11-15-2-1-9-26-15/h1-10,22H,11H2,(H,21,23).
What are the key properties of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 441.36 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 24537837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).