3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide

C14H14ClNO4S2 — CID 60532748

IUPAC3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H14ClNO4S2/c1-10-13(15)4-3-5-14(10)22(19,20)16-11-6-8-12(9-7-11)21(2,17)18/h3-9,16H,1-2H3
InChIKeyVOCKKWPVOHIMJT-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.85
Rot. Bonds4

About 3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide

3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide (PubChem CID 60532748) has the molecular formula C14H14ClNO4S2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
PubChem CID60532748
Molecular FormulaC14H14ClNO4S2
Molecular Weight359.86 g/mol
Exact Mass359.01
IUPAC Name3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H14ClNO4S2/c1-10-13(15)4-3-5-14(10)22(19,20)16-11-6-8-12(9-7-11)21(2,17)18/h3-9,16H,1-2H3
InChIKeyVOCKKWPVOHIMJT-UHFFFAOYSA-N
XLogP2.85
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
3-chloro-2-methyl-N-[4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide
CID 11376844
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide
CID 24621363
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540546
3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43605036
3-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532701
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 115698055
3-chloro-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-methylbenzenesulfonamide
CID 122324374

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide (CID 60532748) is 3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide?
The InChIKey is VOCKKWPVOHIMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S2/c1-10-13(15)4-3-5-14(10)22(19,20)16-11-6-8-12(9-7-11)21(2,17)18/h3-9,16H,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide?
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide has a molecular weight of 359.86 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 60532748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).