4-methyl-N-oxidobenzenesulfonamide

C7H8NO3S- — CID 141387140

IUPAC4-methyl-N-oxidobenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[O-])cc1
InChIInChI=1S/C7H8NO3S/c1-6-2-4-7(5-3-6)12(10,11)8-9/h2-5,8H,1H3/q-1
InChIKeyWFWJTTOJGJWTEK-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.77
Rot. Bonds2

About 4-methyl-N-oxidobenzenesulfonamide

4-methyl-N-oxidobenzenesulfonamide (PubChem CID 141387140) has the molecular formula C7H8NO3S- and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-methyl-N-oxidobenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-oxidobenzenesulfonamide
PubChem CID141387140
Molecular FormulaC7H8NO3S-
Molecular Weight186.21 g/mol
Exact Mass186.02
IUPAC Name4-methyl-N-oxidobenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[O-])cc1
InChIInChI=1S/C7H8NO3S/c1-6-2-4-7(5-3-6)12(10,11)8-9/h2-5,8H,1H3/q-1
InChIKeyWFWJTTOJGJWTEK-UHFFFAOYSA-N
XLogP0.77
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methylbenzenesulfonohydrazide
CID 15303
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
1-methyl-4-(sulfinatosulfamoyl)benzene
CID 57311516
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-(tribromomethylsulfonyl)benzene
CID 562875
4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide
CID 70973991
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-oxidobenzenesulfonamide?
The IUPAC name of 4-methyl-N-oxidobenzenesulfonamide (CID 141387140) is 4-methyl-N-oxidobenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-oxidobenzenesulfonamide?
The canonical SMILES for 4-methyl-N-oxidobenzenesulfonamide is Cc1ccc(S(=O)(=O)N[O-])cc1.
What is the InChIKey of 4-methyl-N-oxidobenzenesulfonamide?
The InChIKey is WFWJTTOJGJWTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO3S/c1-6-2-4-7(5-3-6)12(10,11)8-9/h2-5,8H,1H3/q-1.
What are the key properties of 4-methyl-N-oxidobenzenesulfonamide?
4-methyl-N-oxidobenzenesulfonamide has a molecular weight of 186.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-oxidobenzenesulfonamide is sourced from PubChem (CID 141387140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).