N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide

C23H25ClN4O5S2 — CID 18891082

IUPACN-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)cc1Cl
InChIInChI=1S/C23H25ClN4O5S2/c1-16-5-8-19(15-22(16)24)26-34(30,31)21-13-9-18(10-14-21)25-23(29)17-6-11-20(12-7-17)28(4)35(32,33)27(2)3/h5-15,26H,1-4H3,(H,25,29)
InChIKeyFIIQHSIQXKLKCA-UHFFFAOYSA-N
MW537.06 g/mol
LogP3.94
Rot. Bonds8

About N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide

N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide (PubChem CID 18891082) has the molecular formula C23H25ClN4O5S2 and a molecular weight of 537.06 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
PubChem CID18891082
Molecular FormulaC23H25ClN4O5S2
Molecular Weight537.06 g/mol
Exact Mass536.10
IUPAC NameN-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)cc1Cl
InChIInChI=1S/C23H25ClN4O5S2/c1-16-5-8-19(15-22(16)24)26-34(30,31)21-13-9-18(10-14-21)25-23(29)17-6-11-20(12-7-17)28(4)35(32,33)27(2)3/h5-15,26H,1-4H3,(H,25,29)
InChIKeyFIIQHSIQXKLKCA-UHFFFAOYSA-N
XLogP3.94
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.06
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 18891060
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide
CID 3955566
N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 13322356
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92642400
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 18891020
4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 30396309
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 21367810
N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664148
N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide
CID 55704375
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The IUPAC name of N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide (CID 18891082) is N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide.
What is the SMILES notation for N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The canonical SMILES for N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)cc1Cl.
What is the InChIKey of N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The InChIKey is FIIQHSIQXKLKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O5S2/c1-16-5-8-19(15-22(16)24)26-34(30,31)21-13-9-18(10-14-21)25-23(29)17-6-11-20(12-7-17)28(4)35(32,33)27(2)3/h5-15,26H,1-4H3,(H,25,29).
What are the key properties of N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide has a molecular weight of 537.06 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide is sourced from PubChem (CID 18891082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).