N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide

C15H21NO3S — CID 25229300

IUPACN-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
SMILESC=C=CCN(C(C)(C)CO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO3S/c1-5-6-11-16(15(3,4)12-17)20(18,19)14-9-7-13(2)8-10-14/h6-10,17H,1,11-12H2,2-4H3
InChIKeyKJKMTMLCKMFAHL-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.10
Rot. Bonds6

About N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide

N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 25229300) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
PubChem CID25229300
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
SMILESC=C=CCN(C(C)(C)CO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO3S/c1-5-6-11-16(15(3,4)12-17)20(18,19)14-9-7-13(2)8-10-14/h6-10,17H,1,11-12H2,2-4H3
InChIKeyKJKMTMLCKMFAHL-UHFFFAOYSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 166438438
N-buta-2,3-dienyl-N-[(2E)-2-[(R)-tert-butylsulfinyl]iminoethyl]-4-methylbenzenesulfonamide
CID 11314658
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
N-(2,2-dimethyl-3-oxopropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 10494105
N-(4-hydroxybut-2-ynyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 11011363
4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide
CID 11681501
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide
CID 102417724
N-but-2-ynyl-N-[(Z)-4-hydroxybut-2-enyl]-4-methylbenzenesulfonamide
CID 135020225
N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 11608901
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 115902733
4-methyl-N-[(E)-pent-2-en-4-ynyl]-N-prop-2-enylbenzenesulfonamide
CID 102262070
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonyl-[(4R)-nona-1,2-dien-4-yl]amino]but-2-enyl]-N-[(4R)-nona-1,2-dien-4-yl]benzenesulfonamide
CID 132549246

Frequently Asked Questions

What is the IUPAC name of N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide (CID 25229300) is N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide is C=C=CCN(C(C)(C)CO)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is KJKMTMLCKMFAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-5-6-11-16(15(3,4)12-17)20(18,19)14-9-7-13(2)8-10-14/h6-10,17H,1,11-12H2,2-4H3.
What are the key properties of N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide?
N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-2,3-dienyl-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 25229300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).