N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide

C14H13ClN2O4S — CID 22775100

IUPACN-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C14H13ClN2O4S/c1-9-3-6-14(10(2)7-9)22(20,21)16-11-4-5-12(15)13(8-11)17(18)19/h3-8,16H,1-2H3
InChIKeyKVODSBAURVAPMX-UHFFFAOYSA-N
MW340.79 g/mol
LogP3.67
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide

N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 22775100) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
PubChem CID22775100
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC NameN-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C14H13ClN2O4S/c1-9-3-6-14(10(2)7-9)22(20,21)16-11-4-5-12(15)13(8-11)17(18)19/h3-8,16H,1-2H3
InChIKeyKVODSBAURVAPMX-UHFFFAOYSA-N
XLogP3.67
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 53.67
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

4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 60533121
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzenesulfonamide
CID 8523375
N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 24656265
5-tert-butyl-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 7940729
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
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)-2-methoxy-5-nitrobenzenesulfonamide
CID 18268802
N-[3-(4-chloro-3-nitroanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide
CID 3389592
5-chloro-N-(3,4-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 7574218

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide (CID 22775100) is N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is KVODSBAURVAPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c1-9-3-6-14(10(2)7-9)22(20,21)16-11-4-5-12(15)13(8-11)17(18)19/h3-8,16H,1-2H3.
What are the key properties of N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide?
N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 340.79 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 22775100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).