2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide

C17H27F3N2O2S — CID 70939243

IUPAC2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H27F3N2O2S/c1-16(2,3)25(23,24)22-12-6-4-5-11-21-13-14-7-9-15(10-8-14)17(18,19)20/h7-10,21-22H,4-6,11-13H2,1-3H3
InChIKeyRLAKICCKZAQXBR-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.68
Rot. Bonds9

About 2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide

2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide (PubChem CID 70939243) has the molecular formula C17H27F3N2O2S and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide
PubChem CID70939243
Molecular FormulaC17H27F3N2O2S
Molecular Weight380.48 g/mol
Exact Mass380.17
IUPAC Name2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H27F3N2O2S/c1-16(2,3)25(23,24)22-12-6-4-5-11-21-13-14-7-9-15(10-8-14)17(18,19)20/h7-10,21-22H,4-6,11-13H2,1-3H3
InChIKeyRLAKICCKZAQXBR-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
4-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 106844754
5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115325146
2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide
CID 70938746
2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 111467443
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
N-[5-(isoquinolin-1-ylmethylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70938753
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115572429
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 20601070
N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide
CID 70938800

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide (CID 70939243) is 2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCCCCNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide?
The InChIKey is RLAKICCKZAQXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N2O2S/c1-16(2,3)25(23,24)22-12-6-4-5-11-21-13-14-7-9-15(10-8-14)17(18,19)20/h7-10,21-22H,4-6,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide?
2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide has a molecular weight of 380.48 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 70939243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).