2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide

C13H11ClN2O5S — CID 2871205

IUPAC2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C13H11ClN2O5S/c1-21-11-5-2-9(3-6-11)15-22(19,20)13-8-10(16(17)18)4-7-12(13)14/h2-8,15H,1H3
InChIKeyRLVBCDHVDITPBR-UHFFFAOYSA-N
MW342.76 g/mol
LogP3.06
Rot. Bonds5

About 2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide

2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide (PubChem CID 2871205) has the molecular formula C13H11ClN2O5S and a molecular weight of 342.76 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
PubChem CID2871205
Molecular FormulaC13H11ClN2O5S
Molecular Weight342.76 g/mol
Exact Mass342.01
IUPAC Name2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C13H11ClN2O5S/c1-21-11-5-2-9(3-6-11)15-22(19,20)13-8-10(16(17)18)4-7-12(13)14/h2-8,15H,1H3
InChIKeyRLVBCDHVDITPBR-UHFFFAOYSA-N
XLogP3.06
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 53.06
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

2-chloro-5-nitro-N-(4-nitrophenyl)benzenesulfonamide
CID 7559501
2-chloro-N-(4-methylphenyl)-5-nitrobenzenesulfonamide
CID 2844050
5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355
N-(4-chloro-3-nitrophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18268802
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
2-(2-cycloheptylidenehydrazinyl)-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3616711
N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
4-[(2-chloro-5-nitrophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 3370322
2,5-dichloro-N-[4-(4-nitrophenyl)sulfanylphenyl]benzenesulfonamide
CID 3728349
2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3651261
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-methyl-5-nitrobenzenesulfonamide
CID 21367365
2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3400997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide (CID 2871205) is 2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide?
The InChIKey is RLVBCDHVDITPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O5S/c1-21-11-5-2-9(3-6-11)15-22(19,20)13-8-10(16(17)18)4-7-12(13)14/h2-8,15H,1H3.
What are the key properties of 2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide?
2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide has a molecular weight of 342.76 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 2871205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).