3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide

C15H16N2O4S — CID 22775051

IUPAC3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C15H16N2O4S/c1-10-5-7-14(8-12(10)3)22(20,21)16-13-6-4-11(2)15(9-13)17(18)19/h4-9,16H,1-3H3
InChIKeyVLCQQYNQSUVMQN-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.32
Rot. Bonds4

About 3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide

3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide (PubChem CID 22775051) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide
PubChem CID22775051
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C15H16N2O4S/c1-10-5-7-14(8-12(10)3)22(20,21)16-13-6-4-11(2)15(9-13)17(18)19/h4-9,16H,1-3H3
InChIKeyVLCQQYNQSUVMQN-UHFFFAOYSA-N
XLogP3.32
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.32
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

N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 7939121
N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4876032
2-methyl-N-(4-methyl-3-nitrophenyl)-5-nitrobenzenesulfonamide
CID 2796554
2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide
CID 43456451
N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 54937260
N-(4-methyl-3-nitrophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22775049
2-hydroxy-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid
CID 5035463
5-chloro-N-(3,4-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 7574218
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
N-(3-acetylphenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 2929512
4-methyl-3-nitro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 7938995
4-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 26978988

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide (CID 22775051) is 3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide?
The InChIKey is VLCQQYNQSUVMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-10-5-7-14(8-12(10)3)22(20,21)16-13-6-4-11(2)15(9-13)17(18)19/h4-9,16H,1-3H3.
What are the key properties of 3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide?
3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide has a molecular weight of 320.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 22775051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).