N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane

C9H15NO3S — CID 161281270

IUPACN-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
SMILESC.Cc1ccc(S(=O)(=O)NCO)cc1
InChIInChI=1S/C8H11NO3S.CH4/c1-7-2-4-8(5-3-7)13(11,12)9-6-10;/h2-5,9-10H,6H2,1H3;1H4
InChIKeyVFCRGSDEDRYEOU-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.86
Rot. Bonds3

About N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane

N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane (PubChem CID 161281270) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane.

Molecular Properties

Compound NameN-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
PubChem CID161281270
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC NameN-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
SMILESC.Cc1ccc(S(=O)(=O)NCO)cc1
InChIInChI=1S/C8H11NO3S.CH4/c1-7-2-4-8(5-3-7)13(11,12)9-6-10;/h2-5,9-10H,6H2,1H3;1H4
InChIKeyVFCRGSDEDRYEOU-UHFFFAOYSA-N
XLogP0.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
N-(3-hydroxy-2,2-dimethylpropyl)-4-methylbenzenesulfonamide
CID 5174849
4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide
CID 24951292
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 103896593
trimethyl-[[(4-methylphenyl)sulfonylamino]methyl]azanium bromide
CID 123816444
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate
CID 8841355
N-[13-hydroxy-2-[[(4-methylphenyl)sulfonylamino]methyl]tridecyl]-4-methylbenzenesulfonamide
CID 19755985

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane?
The IUPAC name of N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane (CID 161281270) is N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane.
What is the SMILES notation for N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane?
The canonical SMILES for N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane is C.Cc1ccc(S(=O)(=O)NCO)cc1.
What is the InChIKey of N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane?
The InChIKey is VFCRGSDEDRYEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S.CH4/c1-7-2-4-8(5-3-7)13(11,12)9-6-10;/h2-5,9-10H,6H2,1H3;1H4.
What are the key properties of N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane?
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane has a molecular weight of 217.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane is sourced from PubChem (CID 161281270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).