N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide

C13H10Cl2N2O4S — CID 100523584

IUPACN-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide
SMILESCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10Cl2N2O4S/c1-16(9-5-6-12(14)13(15)8-9)22(20,21)11-4-2-3-10(7-11)17(18)19/h2-8H,1H3
InChIKeyMFPWQXZQLUJKTA-UHFFFAOYSA-N
MW361.21 g/mol
LogP3.73
Rot. Bonds4

About N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide

N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide (PubChem CID 100523584) has the molecular formula C13H10Cl2N2O4S and a molecular weight of 361.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide
PubChem CID100523584
Molecular FormulaC13H10Cl2N2O4S
Molecular Weight361.21 g/mol
Exact Mass359.97
IUPAC NameN-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide
SMILESCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10Cl2N2O4S/c1-16(9-5-6-12(14)13(15)8-9)22(20,21)11-4-2-3-10(7-11)17(18)19/h2-8H,1H3
InChIKeyMFPWQXZQLUJKTA-UHFFFAOYSA-N
XLogP3.73
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 53.73
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-chloro-4-methylphenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 99841938
N-(4-bromophenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 100520963
N-(3,4-dimethoxyphenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 94919629
1,2-dichloro-4-(3-nitrophenyl)sulfonylbenzene
CID 154259440
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 100522840
methyl 2-(3,4-dichloro-N-(3-nitrophenyl)sulfonylanilino)acetate
CID 100523624
5-[methyl-(3-nitrophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 5263628
N-(3-chloro-4-methylphenyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 100538866
N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide
CID 23206341
N-(2,4-dimethylphenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 100520515
N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 43344069
N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-nitrobenzenesulfonamide
CID 112769113

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide (CID 100523584) is N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide is CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide?
The InChIKey is MFPWQXZQLUJKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4S/c1-16(9-5-6-12(14)13(15)8-9)22(20,21)11-4-2-3-10(7-11)17(18)19/h2-8H,1H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide?
N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide has a molecular weight of 361.21 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 100523584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).