N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C19H17ClN2O3S2 — CID 26717987

IUPACN-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C19H17ClN2O3S2/c1-13-10-15(20)7-8-18(13)22-19(23)14-4-2-6-17(11-14)27(24,25)21-12-16-5-3-9-26-16/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyOVUUIEZIIAJYIK-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.44
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 26717987) has the molecular formula C19H17ClN2O3S2 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID26717987
Molecular FormulaC19H17ClN2O3S2
Molecular Weight420.94 g/mol
Exact Mass420.04
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C19H17ClN2O3S2/c1-13-10-15(20)7-8-18(13)22-19(23)14-4-2-6-17(11-14)27(24,25)21-12-16-5-3-9-26-16/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyOVUUIEZIIAJYIK-UHFFFAOYSA-N
XLogP4.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56581239
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
N-(4-chloro-2-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065381
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 37261170
N-(5-methyl-2-pyridinyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 35026773
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35000765
N-(4-chloro-2-methylphenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112998154
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60576311

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 26717987) is N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is OVUUIEZIIAJYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S2/c1-13-10-15(20)7-8-18(13)22-19(23)14-4-2-6-17(11-14)27(24,25)21-12-16-5-3-9-26-16/h2-11,21H,12H2,1H3,(H,22,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 420.94 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 26717987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).