N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide

C13H21FN2O2S — CID 119983418

IUPACN-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(F)cc(S(=O)(=O)NC(CN)CC(C)C)c1
InChIInChI=1S/C13H21FN2O2S/c1-9(2)4-12(8-15)16-19(17,18)13-6-10(3)5-11(14)7-13/h5-7,9,12,16H,4,8,15H2,1-3H3
InChIKeyUTECWVWUBSJKJS-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.79
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide

N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide (PubChem CID 119983418) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide
PubChem CID119983418
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(F)cc(S(=O)(=O)NC(CN)CC(C)C)c1
InChIInChI=1S/C13H21FN2O2S/c1-9(2)4-12(8-15)16-19(17,18)13-6-10(3)5-11(14)7-13/h5-7,9,12,16H,4,8,15H2,1-3H3
InChIKeyUTECWVWUBSJKJS-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 119983411
N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119983252
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-(methanesulfonamido)benzenesulfonamide
CID 119983247
N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
CID 63887954
N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 119983139
N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119983219
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methoxy-5-nitrobenzenesulfonamide;hydrochloride
CID 120710739
N-(1-amino-4-methylpentan-2-yl)-4-cyano-3-methylbenzenesulfonamide
CID 106920558
N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 86780635
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189
N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
CID 119983421
N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089008

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide (CID 119983418) is N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide is Cc1cc(F)cc(S(=O)(=O)NC(CN)CC(C)C)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide?
The InChIKey is UTECWVWUBSJKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-9(2)4-12(8-15)16-19(17,18)13-6-10(3)5-11(14)7-13/h5-7,9,12,16H,4,8,15H2,1-3H3.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide?
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 119983418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).