2-(2-methyl-4-nitrophenyl)benzenesulfonamide

C13H12N2O4S — CID 154684688

IUPAC2-(2-methyl-4-nitrophenyl)benzenesulfonamide
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H12N2O4S/c1-9-8-10(15(16)17)6-7-11(9)12-4-2-3-5-13(12)20(14,18)19/h2-8H,1H3,(H2,14,18,19)
InChIKeyWFYVJURHYUUAPO-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.22
Rot. Bonds3

About 2-(2-methyl-4-nitrophenyl)benzenesulfonamide

2-(2-methyl-4-nitrophenyl)benzenesulfonamide (PubChem CID 154684688) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(2-methyl-4-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-methyl-4-nitrophenyl)benzenesulfonamide
PubChem CID154684688
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name2-(2-methyl-4-nitrophenyl)benzenesulfonamide
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H12N2O4S/c1-9-8-10(15(16)17)6-7-11(9)12-4-2-3-5-13(12)20(14,18)19/h2-8H,1H3,(H2,14,18,19)
InChIKeyWFYVJURHYUUAPO-UHFFFAOYSA-N
XLogP2.22
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.22
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

1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene
CID 23565474
2-methyl-5-nitrobenzenesulfonamide;2-methyl-5-nitrobenzenesulfonyl chloride
CID 159304937
4-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 110453851
azanium 2-methyl-4-nitrobenzenesulfonate
CID 163648407
sodium 2-methyl-4-nitrobenzenesulfonate
CID 517339
(1,3-dioxoisoindol-2-yl) 2-methyl-5-nitrobenzenesulfonate
CID 2197324
(2-methyl-4-nitrophenyl)methanesulfonamide
CID 141473969
2-(methylamino)-4-nitrobenzenesulfonamide
CID 62144576
2-(2-bromophenoxy)-5-nitrobenzenesulfonamide
CID 16757272
4-nitro-2-pyridin-4-ylbenzenesulfonamide
CID 175942276
2-methyl-4-nitrobenzenesulfonic acid;hydrochloride
CID 88842241
2-[(2-bromophenyl)methyl]-4-nitrobenzenesulfonamide
CID 175587812

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-nitrophenyl)benzenesulfonamide?
The IUPAC name of 2-(2-methyl-4-nitrophenyl)benzenesulfonamide (CID 154684688) is 2-(2-methyl-4-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 2-(2-methyl-4-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 2-(2-methyl-4-nitrophenyl)benzenesulfonamide is Cc1cc([N+](=O)[O-])ccc1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-methyl-4-nitrophenyl)benzenesulfonamide?
The InChIKey is WFYVJURHYUUAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-9-8-10(15(16)17)6-7-11(9)12-4-2-3-5-13(12)20(14,18)19/h2-8H,1H3,(H2,14,18,19).
What are the key properties of 2-(2-methyl-4-nitrophenyl)benzenesulfonamide?
2-(2-methyl-4-nitrophenyl)benzenesulfonamide has a molecular weight of 292.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 154684688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).