2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide

C13H18Cl3NO3S — CID 103836427

IUPAC2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl3NO3S/c1-2-3-9(4-5-18)8-17-21(19,20)13-11(15)6-10(14)7-12(13)16/h6-7,9,17-18H,2-5,8H2,1H3
InChIKeyUZCWJVLXMVADQI-UHFFFAOYSA-N
MW374.72 g/mol
LogP3.72
Rot. Bonds8

About 2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide

2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (PubChem CID 103836427) has the molecular formula C13H18Cl3NO3S and a molecular weight of 374.72 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
PubChem CID103836427
Molecular FormulaC13H18Cl3NO3S
Molecular Weight374.72 g/mol
Exact Mass373.01
IUPAC Name2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl3NO3S/c1-2-3-9(4-5-18)8-17-21(19,20)13-11(15)6-10(14)7-12(13)16/h6-7,9,17-18H,2-5,8H2,1H3
InChIKeyUZCWJVLXMVADQI-UHFFFAOYSA-N
XLogP3.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.72
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836329
4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113473
5-amino-2-chloro-4-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113557
5-chloro-N-[2-(2-hydroxyethyl)pentyl]thiophene-2-sulfonamide
CID 103836355
2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 55871539
1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide
CID 106115960
5-amino-2,4-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113601
4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836399
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide
CID 106113471
2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113439
2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616458
5-amino-2,3-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113511

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (CID 103836427) is 2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is CCCC(CCO)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The InChIKey is UZCWJVLXMVADQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl3NO3S/c1-2-3-9(4-5-18)8-17-21(19,20)13-11(15)6-10(14)7-12(13)16/h6-7,9,17-18H,2-5,8H2,1H3.
What are the key properties of 2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide has a molecular weight of 374.72 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is sourced from PubChem (CID 103836427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).