N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide

C13H11Cl2NO4S2 — CID 55532986

IUPACN-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H11Cl2NO4S2/c1-21(17,18)12-4-2-3-5-13(12)22(19,20)16-11-7-9(14)6-10(15)8-11/h2-8,16H,1H3
InChIKeyORAFQLOVYLZTJX-UHFFFAOYSA-N
MW380.27 g/mol
LogP3.20
Rot. Bonds4

About N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide

N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide (PubChem CID 55532986) has the molecular formula C13H11Cl2NO4S2 and a molecular weight of 380.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide
PubChem CID55532986
Molecular FormulaC13H11Cl2NO4S2
Molecular Weight380.27 g/mol
Exact Mass378.95
IUPAC NameN-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H11Cl2NO4S2/c1-21(17,18)12-4-2-3-5-13(12)22(19,20)16-11-7-9(14)6-10(15)8-11/h2-8,16H,1H3
InChIKeyORAFQLOVYLZTJX-UHFFFAOYSA-N
XLogP3.20
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
CID 779344
N-(4-tert-butylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532477
4-chloro-N-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 123943887
N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 86920060
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzamide
CID 7565546
N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide
CID 107370419
4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide
CID 22773548
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
CID 86922498
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970119
2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427019

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide (CID 55532986) is N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide?
The InChIKey is ORAFQLOVYLZTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO4S2/c1-21(17,18)12-4-2-3-5-13(12)22(19,20)16-11-7-9(14)6-10(15)8-11/h2-8,16H,1H3.
What are the key properties of N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide?
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide has a molecular weight of 380.27 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55532986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).