N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide

C14H21F3N2O2S — CID 119992166

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O2S/c1-10(2)12(18)8-9-19(3)22(20,21)13-7-5-4-6-11(13)14(15,16)17/h4-7,10,12H,8-9,18H2,1-3H3
InChIKeyGUXYUYJKCOERFH-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.70
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide

N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 119992166) has the molecular formula C14H21F3N2O2S and a molecular weight of 338.40 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID119992166
Molecular FormulaC14H21F3N2O2S
Molecular Weight338.40 g/mol
Exact Mass338.13
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O2S/c1-10(2)12(18)8-9-19(3)22(20,21)13-7-5-4-6-11(13)14(15,16)17/h4-7,10,12H,8-9,18H2,1-3H3
InChIKeyGUXYUYJKCOERFH-UHFFFAOYSA-N
XLogP2.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
CID 81491313
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 107206454
N-(3-amino-4-methylpentyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 115317721
2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 8815605
2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride
CID 119992074
N-(1-chloropropan-2-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 104556465
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
CID 43319450
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 112788277
N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78766636

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide (CID 119992166) is N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide is CC(C)C(N)CCN(C)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GUXYUYJKCOERFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2S/c1-10(2)12(18)8-9-19(3)22(20,21)13-7-5-4-6-11(13)14(15,16)17/h4-7,10,12H,8-9,18H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 338.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119992166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).