4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide

C16H22ClF3N2O3S — CID 42938556

IUPAC4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C16H22ClF3N2O3S/c1-11(2)14(22-5-7-25-8-6-22)10-21-26(23,24)15-4-3-12(17)9-13(15)16(18,19)20/h3-4,9,11,14,21H,5-8,10H2,1-2H3
InChIKeyWCAITIGXCQKVEN-UHFFFAOYSA-N
MW414.88 g/mol
LogP2.99
Rot. Bonds6

About 4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 42938556) has the molecular formula C16H22ClF3N2O3S and a molecular weight of 414.88 g/mol. Its IUPAC name is 4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID42938556
Molecular FormulaC16H22ClF3N2O3S
Molecular Weight414.88 g/mol
Exact Mass414.10
IUPAC Name4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C16H22ClF3N2O3S/c1-11(2)14(22-5-7-25-8-6-22)10-21-26(23,24)15-4-3-12(17)9-13(15)16(18,19)20/h3-4,9,11,14,21H,5-8,10H2,1-2H3
InChIKeyWCAITIGXCQKVEN-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.88
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
CID 42938553
2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 25497004
4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 66109305
4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120664685
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43074811
4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 75444567
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 55735011
4-chloro-N-[[(3R)-oxolan-3-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 94061203
4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 55598693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide (CID 42938556) is 4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide is CC(C)C(CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCOCC1.
What is the InChIKey of 4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WCAITIGXCQKVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF3N2O3S/c1-11(2)14(22-5-7-25-8-6-22)10-21-26(23,24)15-4-3-12(17)9-13(15)16(18,19)20/h3-4,9,11,14,21H,5-8,10H2,1-2H3.
What are the key properties of 4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 414.88 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 42938556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).