4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide

C10H13NO2S — CID 70973991

IUPAC4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide
SMILESC/C=C/NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO2S/c1-3-8-11-14(12,13)10-6-4-9(2)5-7-10/h3-8,11H,1-2H3/b8-3+
InChIKeyHANLZCQSQBFWLP-FPYGCLRLSA-N
MW211.29 g/mol
LogP1.81
Rot. Bonds3

About 4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide

4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide (PubChem CID 70973991) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide
PubChem CID70973991
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide
SMILESC/C=C/NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO2S/c1-3-8-11-14(12,13)10-6-4-9(2)5-7-10/h3-8,11H,1-2H3/b8-3+
InChIKeyHANLZCQSQBFWLP-FPYGCLRLSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide
CID 91181153
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
4-methylbenzenesulfonohydrazide
CID 15303
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
butyl (E)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
CID 132507052
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 14948232
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
1-methyl-4-(sulfinatosulfamoyl)benzene
CID 57311516
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide (CID 70973991) is 4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide is C/C=C/NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide?
The InChIKey is HANLZCQSQBFWLP-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-3-8-11-14(12,13)10-6-4-9(2)5-7-10/h3-8,11H,1-2H3/b8-3+.
What are the key properties of 4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide?
4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide has a molecular weight of 211.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide is sourced from PubChem (CID 70973991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).