3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide

C15H15ClN2O5S — CID 60534366

IUPAC3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H15ClN2O5S/c1-3-23-12-6-4-5-11(7-12)17-24(21,22)13-8-14(16)10(2)15(9-13)18(19)20/h4-9,17H,3H2,1-2H3
InChIKeyLZDCUAXAJVMMLY-UHFFFAOYSA-N
MW370.81 g/mol
LogP3.76
Rot. Bonds6

About 3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide

3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide (PubChem CID 60534366) has the molecular formula C15H15ClN2O5S and a molecular weight of 370.81 g/mol. Its IUPAC name is 3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide
PubChem CID60534366
Molecular FormulaC15H15ClN2O5S
Molecular Weight370.81 g/mol
Exact Mass370.04
IUPAC Name3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H15ClN2O5S/c1-3-23-12-6-4-5-11(7-12)17-24(21,22)13-8-14(16)10(2)15(9-13)18(19)20/h4-9,17H,3H2,1-2H3
InChIKeyLZDCUAXAJVMMLY-UHFFFAOYSA-N
XLogP3.76
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
3-chloro-4-methyl-N-(3-methylsulfanylphenyl)-5-nitrobenzenesulfonamide
CID 27993350
N-(3-acetylphenyl)-3-chloro-4-methyl-5-nitrobenzenesulfonamide
CID 33010320
3-chloro-N-(6-methoxy-3-pyridinyl)-4-methyl-5-nitrobenzenesulfonamide
CID 18289582
3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide
CID 8515892
3-chloro-N-[4-(difluoromethoxy)phenyl]-4-methyl-5-nitrobenzenesulfonamide
CID 8514887
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 18575938
3-chloro-N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-4-methyl-5-nitrobenzenesulfonamide
CID 24663047
4-fluoro-N-[3-(hydroxymethoxy)phenyl]-3-nitrobenzenesulfonamide
CID 70121004
4-chloro-N-(3-methylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 8842745
3-chloro-4-methyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-5-nitrobenzenesulfonamide
CID 38892727
3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide
CID 43104461

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide (CID 60534366) is 3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide is CCOc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide?
The InChIKey is LZDCUAXAJVMMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5S/c1-3-23-12-6-4-5-11(7-12)17-24(21,22)13-8-14(16)10(2)15(9-13)18(19)20/h4-9,17H,3H2,1-2H3.
What are the key properties of 3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide?
3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide has a molecular weight of 370.81 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 60534366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).