3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide

C13H21NO3S — CID 43507340

IUPAC3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C13H21NO3S/c1-3-4-5-9-14-18(16,17)13-8-6-7-12(10-13)11(2)15/h6-8,10-11,14-15H,3-5,9H2,1-2H3
InChIKeyABLPLGSWVGHKNV-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.21
Rot. Bonds7

About 3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide

3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide (PubChem CID 43507340) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide
PubChem CID43507340
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C13H21NO3S/c1-3-4-5-9-14-18(16,17)13-8-6-7-12(10-13)11(2)15/h6-8,10-11,14-15H,3-5,9H2,1-2H3
InChIKeyABLPLGSWVGHKNV-UHFFFAOYSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-hydroxyethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106341917
3-(1-aminoethyl)-N-octylbenzenesulfonamide
CID 115569030
3-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960305
N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide
CID 61466426
3-bromo-N-hexylbenzenesulfonamide
CID 31481292
N-dodecyl-3-(trifluoromethyl)benzenesulfonamide
CID 23358572
N-octyl-3-(trifluoromethyl)benzenesulfonamide
CID 67803477
N-butyl-3-(2-methylpropanoyl)benzenesulfonamide
CID 39383401
N-tridecylbenzenesulfonamide
CID 3514704
N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
N,N-diethyl-3-(pentylsulfamoyl)benzamide
CID 109065070

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide (CID 43507340) is 3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1cccc(C(C)O)c1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide?
The InChIKey is ABLPLGSWVGHKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-4-5-9-14-18(16,17)13-8-6-7-12(10-13)11(2)15/h6-8,10-11,14-15H,3-5,9H2,1-2H3.
What are the key properties of 3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide?
3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide is sourced from PubChem (CID 43507340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).