4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide

C20H19ClN2O3S2 — CID 32986710

IUPAC4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C20H19ClN2O3S2/c1-14-10-11-27-18(14)13-22-20(24)15-8-9-17(21)19(12-15)28(25,26)23(2)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeySLXZNHRKVPTPSX-UHFFFAOYSA-N
MW434.97 g/mol
LogP4.47
Rot. Bonds6

About 4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide

4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 32986710) has the molecular formula C20H19ClN2O3S2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID32986710
Molecular FormulaC20H19ClN2O3S2
Molecular Weight434.97 g/mol
Exact Mass434.05
IUPAC Name4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C20H19ClN2O3S2/c1-14-10-11-27-18(14)13-22-20(24)15-8-9-17(21)19(12-15)28(25,26)23(2)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeySLXZNHRKVPTPSX-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[[4-chloro-3-[methyl(phenyl)sulfamoyl]benzoyl]amino]-4-methylpentanoate
CID 25437819
4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 32991351
3,4-dichloro-N-[2-[[N'-methyl-N-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111893833
4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 33305283
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
4-chloro-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4198300
3,4-dichloro-N-[2-[[N'-methyl-N-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111893832
4-methyl-3-[(3-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 112726216
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
CID 126414386
4-[(3-methylthiophen-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 112700639
phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate
CID 2668465
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
CID 32736718

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 32986710) is 4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccsc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is SLXZNHRKVPTPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S2/c1-14-10-11-27-18(14)13-22-20(24)15-8-9-17(21)19(12-15)28(25,26)23(2)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of 4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 434.97 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[methyl(phenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 32986710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).