N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide

C15H19NO3S — CID 60824918

IUPACN-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C15H19NO3S/c1-12(14-8-9-14)16(2)20(18,19)15-7-3-5-13(11-15)6-4-10-17/h3,5,7,11-12,14,17H,8-10H2,1-2H3
InChIKeyCRXPKNMDBADBLM-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.45
Rot. Bonds4

About N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide

N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide (PubChem CID 60824918) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
PubChem CID60824918
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C15H19NO3S/c1-12(14-8-9-14)16(2)20(18,19)15-7-3-5-13(11-15)6-4-10-17/h3,5,7,11-12,14,17H,8-10H2,1-2H3
InChIKeyCRXPKNMDBADBLM-UHFFFAOYSA-N
XLogP1.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 54926862
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 54926250
N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide
CID 60873070
3-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 61422153
3-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide
CID 106917715
4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 116529347
N-cyclopropyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide
CID 60845310
N-(2,3-dimethylbutyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 64598282
3-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-yn-1-ol
CID 60824409
3-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61466225
4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide
CID 54920579
3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82735852

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide (CID 60824918) is N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide is CC(C1CC1)N(C)S(=O)(=O)c1cccc(C#CCO)c1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
The InChIKey is CRXPKNMDBADBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-12(14-8-9-14)16(2)20(18,19)15-7-3-5-13(11-15)6-4-10-17/h3,5,7,11-12,14,17H,8-10H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 60824918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).