N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide

C13H11ClN2O4S — CID 23206341

IUPACN-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cc(Cl)cc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11ClN2O4S/c1-15(21(19,20)13-5-3-2-4-6-13)11-7-10(14)8-12(9-11)16(17)18/h2-9H,1H3
InChIKeyVLVWYPVORDFCIZ-UHFFFAOYSA-N
MW326.76 g/mol
LogP3.07
Rot. Bonds4

About N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide

N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide (PubChem CID 23206341) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide
PubChem CID23206341
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC NameN-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cc(Cl)cc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11ClN2O4S/c1-15(21(19,20)13-5-3-2-4-6-13)11-7-10(14)8-12(9-11)16(17)18/h2-9H,1H3
InChIKeyVLVWYPVORDFCIZ-UHFFFAOYSA-N
XLogP3.07
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 53.07
H-Bond Donors ≤ 50
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-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide
CID 23206345
N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 100523584
N-(3-chloro-4-methylphenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 99841938
N,4-dimethyl-3-nitro-N-phenylbenzenesulfonamide
CID 3323652
N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99695445
N-(4-bromophenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 100520963
3-chloro-N,4-dimethyl-5-nitro-N-phenylbenzenesulfonamide
CID 8512046
5-[methyl-(3-nitrophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 5263628
4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide
CID 1320507
2-(3,5-dichloro-N-(3-nitrophenyl)sulfonylanilino)acetic acid
CID 50892507
3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide
CID 23206269
N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 71347765

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide (CID 23206341) is N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide is CN(c1cc(Cl)cc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide?
The InChIKey is VLVWYPVORDFCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c1-15(21(19,20)13-5-3-2-4-6-13)11-7-10(14)8-12(9-11)16(17)18/h2-9H,1H3.
What are the key properties of N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide?
N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide has a molecular weight of 326.76 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 23206341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).