N-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide

C15H21NO4S — CID 102326688

IUPACN-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(CC(O)COCC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO4S/c1-4-10-16(11-14(17)12-20-5-2)21(18,19)15-8-6-13(3)7-9-15/h1,6-9,14,17H,5,10-12H2,2-3H3
InChIKeyUXDNDRHSLOGDOD-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.02
Rot. Bonds8

About N-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide

N-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide (PubChem CID 102326688) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide
PubChem CID102326688
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(CC(O)COCC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO4S/c1-4-10-16(11-14(17)12-20-5-2)21(18,19)15-8-6-13(3)7-9-15/h1,6-9,14,17H,5,10-12H2,2-3H3
InChIKeyUXDNDRHSLOGDOD-UHFFFAOYSA-N
XLogP1.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 135038237
N-[(2S)-2,3-dihydroxypropyl]-4-methyl-N-[3-(4-methylphenyl)prop-2-ynyl]benzenesulfonamide
CID 24950668
4-methyl-N-(5-oxohex-2-ynyl)-N-prop-2-ynylbenzenesulfonamide
CID 102243154
4-methyl-N-(6-oxohex-2-ynyl)-N-prop-2-ynylbenzenesulfonamide
CID 42599302
N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 24806524
N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-4-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 16655816
N-[(2S)-2-hydroxyoctyl]-N-[(2S)-2-hydroxy-3-phenoxypropyl]-4-methylbenzenesulfonamide
CID 101366737
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
N-ethynyl-4-methyl-N-propylbenzenesulfonamide
CID 12982566
4-methyl-N,N-bis(sulfanylmethyl)benzenesulfonamide
CID 122393288
methyl 2-[4-[propyl(prop-2-ynyl)sulfamoyl]phenyl]acetate
CID 78958953
N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide
CID 171730221

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of N-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide (CID 102326688) is N-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for N-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for N-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide is C#CCN(CC(O)COCC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is UXDNDRHSLOGDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-4-10-16(11-14(17)12-20-5-2)21(18,19)15-8-6-13(3)7-9-15/h1,6-9,14,17H,5,10-12H2,2-3H3.
What are the key properties of N-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide?
N-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-hydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 102326688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).