4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide

C15H19NO3S — CID 62410175

IUPAC4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC2C)ccc1C#CCCO
InChIInChI=1S/C15H19NO3S/c1-11-9-14(7-6-13(11)5-3-4-8-17)20(18,19)16-15-10-12(15)2/h6-7,9,12,15-17H,4,8,10H2,1-2H3
InChIKeyRBACDZKHNXCYIZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.42
Rot. Bonds4

About 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide

4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide (PubChem CID 62410175) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
PubChem CID62410175
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC2C)ccc1C#CCCO
InChIInChI=1S/C15H19NO3S/c1-11-9-14(7-6-13(11)5-3-4-8-17)20(18,19)16-15-10-12(15)2/h6-7,9,12,15-17H,4,8,10H2,1-2H3
InChIKeyRBACDZKHNXCYIZ-UHFFFAOYSA-N
XLogP1.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide
CID 54926200
N-(2-ethoxyethyl)-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide
CID 60844907
N-tert-butyl-4-(3-hydroxyprop-1-ynyl)-3-methylbenzenesulfonamide
CID 60822555
4-(3-hydroxyprop-1-ynyl)-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 60824265
4-(2,4-dimethylphenyl)but-3-yn-1-ol
CID 60801281
4-(3-hydroxyprop-1-ynyl)-3-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 83015386
4-(3-hydroxyprop-1-ynyl)-3-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60845622
4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114550763
4-cyano-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzenesulfonamide
CID 106833631
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 107651998
1-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]pyrrolidine-2,5-dione
CID 54922840
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide (CID 62410175) is 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC2CC2C)ccc1C#CCCO.
What is the InChIKey of 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide?
The InChIKey is RBACDZKHNXCYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11-9-14(7-6-13(11)5-3-4-8-17)20(18,19)16-15-10-12(15)2/h6-7,9,12,15-17H,4,8,10H2,1-2H3.
What are the key properties of 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide?
4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 62410175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).