4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide

C16H18ClN3O5S2 — CID 24635521

IUPAC4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H18ClN3O5S2/c1-10-4-6-12(9-14(10)27(24,25)20(2)3)19-16(21)11-5-7-13(17)15(8-11)26(18,22)23/h4-9H,1-3H3,(H,19,21)(H2,18,22,23)
InChIKeyZHUPNBNTIKKAOZ-UHFFFAOYSA-N
MW431.92 g/mol
LogP1.80
Rot. Bonds5

About 4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide

4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide (PubChem CID 24635521) has the molecular formula C16H18ClN3O5S2 and a molecular weight of 431.92 g/mol. Its IUPAC name is 4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
PubChem CID24635521
Molecular FormulaC16H18ClN3O5S2
Molecular Weight431.92 g/mol
Exact Mass431.04
IUPAC Name4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H18ClN3O5S2/c1-10-4-6-12(9-14(10)27(24,25)20(2)3)19-16(21)11-5-7-13(17)15(8-11)26(18,22)23/h4-9H,1-3H3,(H,19,21)(H2,18,22,23)
InChIKeyZHUPNBNTIKKAOZ-UHFFFAOYSA-N
XLogP1.80
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
CID 110295930
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
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N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
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N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide
CID 25435478
4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
CID 24641042
4-chloro-N-(3,4-dimethoxyphenyl)-3-sulfamoylbenzamide
CID 26695102
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
4-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(dimethylsulfamoyl)benzamide
CID 24659613
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
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3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 8893485

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide (CID 24635521) is 4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide?
The InChIKey is ZHUPNBNTIKKAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O5S2/c1-10-4-6-12(9-14(10)27(24,25)20(2)3)19-16(21)11-5-7-13(17)15(8-11)26(18,22)23/h4-9H,1-3H3,(H,19,21)(H2,18,22,23).
What are the key properties of 4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide?
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide has a molecular weight of 431.92 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 24635521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).