3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide

C14H14Cl2N2O4S2 — CID 8603698

IUPAC3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H14Cl2N2O4S2/c1-18(2)24(21,22)13-5-3-12(4-6-13)17-23(19,20)14-8-10(15)7-11(16)9-14/h3-9,17H,1-2H3
InChIKeyJJJRZNUCXUKAMS-UHFFFAOYSA-N
MW409.32 g/mol
LogP3.04
Rot. Bonds5

About 3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide

3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 8603698) has the molecular formula C14H14Cl2N2O4S2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID8603698
Molecular FormulaC14H14Cl2N2O4S2
Molecular Weight409.32 g/mol
Exact Mass407.98
IUPAC Name3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H14Cl2N2O4S2/c1-18(2)24(21,22)13-5-3-12(4-6-13)17-23(19,20)14-8-10(15)7-11(16)9-14/h3-9,17H,1-2H3
InChIKeyJJJRZNUCXUKAMS-UHFFFAOYSA-N
XLogP3.04
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687
4-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580843
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547
5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane
CID 159593175
3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
CID 25331317
4-N,4-N-dimethyl-1-N-[4-methyl-3-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide
CID 24580780
N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide
CID 71945709
3,5-dichloro-N-(3-methyl-1H-indol-5-yl)benzenesulfonamide
CID 59276788
3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 78843376

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide (CID 8603698) is 3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is JJJRZNUCXUKAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4S2/c1-18(2)24(21,22)13-5-3-12(4-6-13)17-23(19,20)14-8-10(15)7-11(16)9-14/h3-9,17H,1-2H3.
What are the key properties of 3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide?
3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 409.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8603698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).