4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide

C17H17NO2S — CID 71512775

IUPAC4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide
SMILESC=C=C(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H17NO2S/c1-3-15(16-7-5-4-6-8-16)13-18-21(19,20)17-11-9-14(2)10-12-17/h4-12,18H,1,13H2,2H3
InChIKeyPIOAJSGBGDOIRW-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.14
Rot. Bonds5

About 4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide

4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide (PubChem CID 71512775) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide
PubChem CID71512775
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide
SMILESC=C=C(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H17NO2S/c1-3-15(16-7-5-4-6-8-16)13-18-21(19,20)17-11-9-14(2)10-12-17/h4-12,18H,1,13H2,2H3
InChIKeyPIOAJSGBGDOIRW-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470
4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide
CID 24951292
4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide
CID 101498750
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide
CID 102287422
benzhydryl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4043289
N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide
CID 10043080
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
CID 101344553
CID 101344553
4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid
CID 58392578

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide (CID 71512775) is 4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide is C=C=C(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide?
The InChIKey is PIOAJSGBGDOIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-3-15(16-7-5-4-6-8-16)13-18-21(19,20)17-11-9-14(2)10-12-17/h4-12,18H,1,13H2,2H3.
What are the key properties of 4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide?
4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide is sourced from PubChem (CID 71512775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).