N-but-3-yn-2-yl-4-methylbenzenesulfonamide

C11H13NO2S — CID 101246920

IUPACN-but-3-yn-2-yl-4-methylbenzenesulfonamide
SMILESC#CC(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H13NO2S/c1-4-10(3)12-15(13,14)11-7-5-9(2)6-8-11/h1,5-8,10,12H,2-3H3
InChIKeyKDQLSACJMFALRL-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.30
Rot. Bonds3

About N-but-3-yn-2-yl-4-methylbenzenesulfonamide

N-but-3-yn-2-yl-4-methylbenzenesulfonamide (PubChem CID 101246920) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is N-but-3-yn-2-yl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-4-methylbenzenesulfonamide
PubChem CID101246920
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC NameN-but-3-yn-2-yl-4-methylbenzenesulfonamide
SMILESC#CC(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H13NO2S/c1-4-10(3)12-15(13,14)11-7-5-9(2)6-8-11/h1,5-8,10,12H,2-3H3
InChIKeyKDQLSACJMFALRL-UHFFFAOYSA-N
XLogP1.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(2S)-pent-4-yn-2-yl]benzenesulfonamide
CID 86604885
3-amino-N-but-3-yn-2-yl-4-methylbenzenesulfonamide
CID 114414720
N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide
CID 114419126
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
3-[4-(but-3-yn-2-ylsulfamoyl)phenyl]propanoic acid
CID 114414836
N-but-3-yn-2-yl-6-chloropyridine-3-sulfonamide
CID 114416452
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874
4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711650
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-4-methylbenzenesulfonamide?
The IUPAC name of N-but-3-yn-2-yl-4-methylbenzenesulfonamide (CID 101246920) is N-but-3-yn-2-yl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-but-3-yn-2-yl-4-methylbenzenesulfonamide?
The canonical SMILES for N-but-3-yn-2-yl-4-methylbenzenesulfonamide is C#CC(C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-but-3-yn-2-yl-4-methylbenzenesulfonamide?
The InChIKey is KDQLSACJMFALRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-4-10(3)12-15(13,14)11-7-5-9(2)6-8-11/h1,5-8,10,12H,2-3H3.
What are the key properties of N-but-3-yn-2-yl-4-methylbenzenesulfonamide?
N-but-3-yn-2-yl-4-methylbenzenesulfonamide has a molecular weight of 223.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-4-methylbenzenesulfonamide is sourced from PubChem (CID 101246920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).