4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide

C13H10Cl2N2O4S — CID 60533121

IUPAC4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10Cl2N2O4S/c1-8-6-9(14)2-5-13(8)22(20,21)16-10-3-4-11(15)12(7-10)17(18)19/h2-7,16H,1H3
InChIKeyBBVGMRYGUDZTFD-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.01
Rot. Bonds4

About 4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide

4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide (PubChem CID 60533121) has the molecular formula C13H10Cl2N2O4S and a molecular weight of 361.21 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
PubChem CID60533121
Molecular FormulaC13H10Cl2N2O4S
Molecular Weight361.21 g/mol
Exact Mass359.97
IUPAC Name4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10Cl2N2O4S/c1-8-6-9(14)2-5-13(8)22(20,21)16-10-3-4-11(15)12(7-10)17(18)19/h2-7,16H,1H3
InChIKeyBBVGMRYGUDZTFD-UHFFFAOYSA-N
XLogP4.01
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22775100
N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 24656265
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzenesulfonamide
CID 8523375
5-chloro-N-(3,4-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 7574218
5-tert-butyl-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 7940729
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
4-chloro-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 39992748
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
CID 18225962
N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide
CID 19887945
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775112
N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 26979178

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide (CID 60533121) is 4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide?
The InChIKey is BBVGMRYGUDZTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4S/c1-8-6-9(14)2-5-13(8)22(20,21)16-10-3-4-11(15)12(7-10)17(18)19/h2-7,16H,1H3.
What are the key properties of 4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide?
4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide has a molecular weight of 361.21 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 60533121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).