N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide

C13H17ClF3NO2S — CID 107206454

IUPACN-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(CCCCCCl)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17ClF3NO2S/c1-18(10-6-2-5-9-14)21(19,20)12-8-4-3-7-11(12)13(15,16)17/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyNQJLFXNFUWGWJB-UHFFFAOYSA-N
MW343.80 g/mol
LogP3.73
Rot. Bonds7

About N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide

N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 107206454) has the molecular formula C13H17ClF3NO2S and a molecular weight of 343.80 g/mol. Its IUPAC name is N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID107206454
Molecular FormulaC13H17ClF3NO2S
Molecular Weight343.80 g/mol
Exact Mass343.06
IUPAC NameN-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(CCCCCCl)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17ClF3NO2S/c1-18(10-6-2-5-9-14)21(19,20)12-8-4-3-7-11(12)13(15,16)17/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyNQJLFXNFUWGWJB-UHFFFAOYSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.80
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
CID 63396675
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 112788277
N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)aniline
CID 107205331
N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 119992166
N-(1-chloropropan-2-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 104556465
N-(3-bromopropyl)-N,2-dimethyl-3-(trifluoromethyl)benzenesulfonamide
CID 106441691
N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78766636
tert-butyl 2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetate
CID 90794385
N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide
CID 107206464
2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 8815605
5-[(2-chlorophenyl)sulfonyl-methylamino]pentanoic acid
CID 69317552
N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide
CID 63695562

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide (CID 107206454) is N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide is CN(CCCCCCl)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NQJLFXNFUWGWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3NO2S/c1-18(10-6-2-5-9-14)21(19,20)12-8-4-3-7-11(12)13(15,16)17/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 343.80 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 107206454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).