4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

C14H18ClF3N2O2S — CID 4833482

IUPAC4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O2S/c1-2-20-7-3-4-10(20)9-19-23(21,22)11-5-6-13(15)12(8-11)14(16,17)18/h5-6,8,10,19H,2-4,7,9H2,1H3
InChIKeyIAYJSMKPFXGSCP-UHFFFAOYSA-N
MW370.82 g/mol
LogP3.12
Rot. Bonds5

About 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 4833482) has the molecular formula C14H18ClF3N2O2S and a molecular weight of 370.82 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID4833482
Molecular FormulaC14H18ClF3N2O2S
Molecular Weight370.82 g/mol
Exact Mass370.07
IUPAC Name4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O2S/c1-2-20-7-3-4-10(20)9-19-23(21,22)11-5-6-13(15)12(8-11)14(16,17)18/h5-6,8,10,19H,2-4,7,9H2,1H3
InChIKeyIAYJSMKPFXGSCP-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide
CID 8145904
1-[1-[4-Chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146666937
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide
CID 4850509
1-(4-Chloro-3-(trifluoromethyl)benzenesulfonyl)piperazine
CID 2443160
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 16196892
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-3-(trifluoromethyl)-1-benzenesulfonamide
CID 91922819
1-[4-Chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 697852
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 44420482
1-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-4-ethylpiperazine
CID 1190478
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
1-[4-Chloro-3-(trifluoromethyl)phenylsulfonyl]-2-methylpiperidine
CID 2939459
4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 18141516

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 4833482) is 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is CCN1CCCC1CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IAYJSMKPFXGSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O2S/c1-2-20-7-3-4-10(20)9-19-23(21,22)11-5-6-13(15)12(8-11)14(16,17)18/h5-6,8,10,19H,2-4,7,9H2,1H3.
What are the key properties of 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 370.82 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 4833482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).