3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide

C15H15ClN2O4S — CID 8515892

IUPAC3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15ClN2O4S/c1-3-11-6-4-5-7-14(11)17-23(21,22)12-8-13(16)10(2)15(9-12)18(19)20/h4-9,17H,3H2,1-2H3
InChIKeyNYWUAQXJWRYQJP-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.92
Rot. Bonds5

About 3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide

3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide (PubChem CID 8515892) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide
PubChem CID8515892
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15ClN2O4S/c1-3-11-6-4-5-7-14(11)17-23(21,22)12-8-13(16)10(2)15(9-12)18(19)20/h4-9,17H,3H2,1-2H3
InChIKeyNYWUAQXJWRYQJP-UHFFFAOYSA-N
XLogP3.92
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.92
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

3-chloro-4-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 27993527
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24502358
N-benzyl-3-chloro-4-methyl-5-nitrobenzenesulfonamide
CID 8777725
N-(2-ethylphenyl)-4-nitrobenzenesulfonamide
CID 3980128
3-chloro-N-(2-methoxy-5-methylphenyl)-4-methyl-5-nitrobenzenesulfonamide
CID 8513789
3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide
CID 60534366
3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide
CID 43104461
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889
3-chloro-4-methyl-N-(3-methylsulfanylphenyl)-5-nitrobenzenesulfonamide
CID 27993350
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-N-ethylacetamide
CID 8800472
N-(3-acetylphenyl)-3-chloro-4-methyl-5-nitrobenzenesulfonamide
CID 33010320
5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606531

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide (CID 8515892) is 3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide is CCc1ccccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1.
What is the InChIKey of 3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide?
The InChIKey is NYWUAQXJWRYQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-3-11-6-4-5-7-14(11)17-23(21,22)12-8-13(16)10(2)15(9-12)18(19)20/h4-9,17H,3H2,1-2H3.
What are the key properties of 3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide?
3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide has a molecular weight of 354.82 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 8515892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).