N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide

C15H21NO3S — CID 60844426

IUPACN-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cccc(C#CCCO)c1
InChIInChI=1S/C15H21NO3S/c1-3-11-16(4-2)20(18,19)15-10-7-9-14(13-15)8-5-6-12-17/h7,9-10,13,17H,3-4,6,11-12H2,1-2H3
InChIKeyCUKXCJYMEUGPCW-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.84
Rot. Bonds6

About N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide

N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide (PubChem CID 60844426) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide
PubChem CID60844426
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cccc(C#CCCO)c1
InChIInChI=1S/C15H21NO3S/c1-3-11-16(4-2)20(18,19)15-10-7-9-14(13-15)8-5-6-12-17/h7,9-10,13,17H,3-4,6,11-12H2,1-2H3
InChIKeyCUKXCJYMEUGPCW-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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-ethyl-3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60981199
3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide
CID 54926868
N-cyclopropyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide
CID 60845310
N-[2-(dimethylamino)ethyl]-3-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 63700705
N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60822914
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115986921
3-(3-aminoprop-1-ynyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61447399
3-(4-hydroxybut-1-ynyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79377246
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
3-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 60824271
N-[2-(dimethylamino)ethyl]-3-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60822722
4-[3-[[methyl(propyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 54969699

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide?
The IUPAC name of N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide (CID 60844426) is N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide?
The canonical SMILES for N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide is CCCN(CC)S(=O)(=O)c1cccc(C#CCCO)c1.
What is the InChIKey of N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide?
The InChIKey is CUKXCJYMEUGPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-11-16(4-2)20(18,19)15-10-7-9-14(13-15)8-5-6-12-17/h7,9-10,13,17H,3-4,6,11-12H2,1-2H3.
What are the key properties of N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide?
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 60844426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).