4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide

C16H17NO2S — CID 91181153

IUPAC4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC=CCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-14-9-11-16(12-10-14)20(18,19)17-13-5-8-15-6-3-2-4-7-15/h2-7,9-13,17H,8H2,1H3
InChIKeyKZFNXGJUJWDGHG-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.03
Rot. Bonds5

About 4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide

4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide (PubChem CID 91181153) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide
PubChem CID91181153
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC=CCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-14-9-11-16(12-10-14)20(18,19)17-13-5-8-15-6-3-2-4-7-15/h2-7,9-13,17H,8H2,1H3
InChIKeyKZFNXGJUJWDGHG-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide
CID 70973991
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
N-[2-[benzyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71677105
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide (CID 91181153) is 4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC=CCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide?
The InChIKey is KZFNXGJUJWDGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-14-9-11-16(12-10-14)20(18,19)17-13-5-8-15-6-3-2-4-7-15/h2-7,9-13,17H,8H2,1H3.
What are the key properties of 4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide?
4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide is sourced from PubChem (CID 91181153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).