N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide

C11H16F2N2O2S — CID 66091851

IUPACN-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide
SMILESCC(CCN)CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2O2S/c1-8(4-5-14)7-15-18(16,17)11-3-2-9(12)6-10(11)13/h2-3,6,8,15H,4-5,7,14H2,1H3
InChIKeyXXVZHJLLNRPEIB-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.23
Rot. Bonds6

About N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide

N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide (PubChem CID 66091851) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide
PubChem CID66091851
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC NameN-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide
SMILESCC(CCN)CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2O2S/c1-8(4-5-14)7-15-18(16,17)11-3-2-9(12)6-10(11)13/h2-3,6,8,15H,4-5,7,14H2,1H3
InChIKeyXXVZHJLLNRPEIB-UHFFFAOYSA-N
XLogP1.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide
CID 62665959
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
CID 5018850
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 113318786
N-(4-amino-2-methylbutyl)benzenesulfonamide
CID 66091403
4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 116527730
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 47006077
N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide
CID 66092322
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
CID 64698220

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide (CID 66091851) is N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide is CC(CCN)CNS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is XXVZHJLLNRPEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-8(4-5-14)7-15-18(16,17)11-3-2-9(12)6-10(11)13/h2-3,6,8,15H,4-5,7,14H2,1H3.
What are the key properties of N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide?
N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 66091851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).