4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide

C18H20Cl2N2O3S — CID 78843928

IUPAC4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3S/c1-11(2)22(4)18(23)13-6-8-15(19)17(9-13)26(24,25)21-14-7-5-12(3)16(20)10-14/h5-11,21H,1-4H3
InChIKeyJPPLZRYINJVDBH-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.58
Rot. Bonds5

About 4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide

4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide (PubChem CID 78843928) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide
PubChem CID78843928
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3S/c1-11(2)22(4)18(23)13-6-8-15(19)17(9-13)26(24,25)21-14-7-5-12(3)16(20)10-14/h5-11,21H,1-4H3
InChIKeyJPPLZRYINJVDBH-UHFFFAOYSA-N
XLogP4.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 1266797
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126413394
methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35506738
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24658420
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 3629479
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 94012391
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 126416161

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide (CID 78843928) is 4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1Cl.
What is the InChIKey of 4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is JPPLZRYINJVDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-11(2)22(4)18(23)13-6-8-15(19)17(9-13)26(24,25)21-14-7-5-12(3)16(20)10-14/h5-11,21H,1-4H3.
What are the key properties of 4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide?
4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 415.34 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 78843928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).