2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide

C14H19ClF3NO3S — CID 74229500

IUPAC2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCCCCN(CCO)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H19ClF3NO3S/c1-2-3-4-7-19(8-9-20)23(21,22)13-10-11(14(16,17)18)5-6-12(13)15/h5-6,10,20H,2-4,7-9H2,1H3
InChIKeyIESRIXNJRQDDBI-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.53
Rot. Bonds8

About 2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 74229500) has the molecular formula C14H19ClF3NO3S and a molecular weight of 373.82 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID74229500
Molecular FormulaC14H19ClF3NO3S
Molecular Weight373.82 g/mol
Exact Mass373.07
IUPAC Name2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCCCCN(CCO)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H19ClF3NO3S/c1-2-3-4-7-19(8-9-20)23(21,22)13-10-11(14(16,17)18)5-6-12(13)15/h5-6,10,20H,2-4,7-9H2,1H3
InChIKeyIESRIXNJRQDDBI-UHFFFAOYSA-N
XLogP3.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 3528675
2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide
CID 55353365
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115902653
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate
CID 78902028
2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483777
N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115319032
2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483813
4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111272
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 106546170
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzenesulfonamide
CID 61045394
N-(2-bromoethyl)-N-butyl-2,5-dichlorobenzenesulfonamide
CID 80669261
2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61045189

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide (CID 74229500) is 2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide is CCCCCN(CCO)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IESRIXNJRQDDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3NO3S/c1-2-3-4-7-19(8-9-20)23(21,22)13-10-11(14(16,17)18)5-6-12(13)15/h5-6,10,20H,2-4,7-9H2,1H3.
What are the key properties of 2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 373.82 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 74229500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).