3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide

C13H20ClNO3S — CID 103836329

IUPAC3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO3S/c1-2-4-11(7-8-16)10-15-19(17,18)13-6-3-5-12(14)9-13/h3,5-6,9,11,15-16H,2,4,7-8,10H2,1H3
InChIKeyYQJQMUQCKMUUGB-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.42
Rot. Bonds8

About 3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide

3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (PubChem CID 103836329) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
PubChem CID103836329
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO3S/c1-2-4-11(7-8-16)10-15-19(17,18)13-6-3-5-12(14)9-13/h3,5-6,9,11,15-16H,2,4,7-8,10H2,1H3
InChIKeyYQJQMUQCKMUUGB-UHFFFAOYSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836427
N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide
CID 81259105
4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836399
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
CID 103836369
5-chloro-N-[2-(2-hydroxyethyl)pentyl]thiophene-2-sulfonamide
CID 103836355
4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836328
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 103835429
methyl 3-[(3-chlorophenyl)sulfonylamino]-2-iodopropanoate
CID 103493655
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide
CID 106113471
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (CID 103836329) is 3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is CCCC(CCO)CNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The InChIKey is YQJQMUQCKMUUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-2-4-11(7-8-16)10-15-19(17,18)13-6-3-5-12(14)9-13/h3,5-6,9,11,15-16H,2,4,7-8,10H2,1H3.
What are the key properties of 3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide has a molecular weight of 305.83 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is sourced from PubChem (CID 103836329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).