N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide

C14H22F2N2O2S — CID 103466290

IUPACN-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1cc(CNC)cc(F)c1F
InChIInChI=1S/C14H22F2N2O2S/c1-5-14(2,3)9-18-21(19,20)12-7-10(8-17-4)6-11(15)13(12)16/h6-7,17-18H,5,8-9H2,1-4H3
InChIKeyQQMLHKBHJNFOLE-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.40
Rot. Bonds7

About N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide

N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 103466290) has the molecular formula C14H22F2N2O2S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide
PubChem CID103466290
Molecular FormulaC14H22F2N2O2S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC NameN-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1cc(CNC)cc(F)c1F
InChIInChI=1S/C14H22F2N2O2S/c1-5-14(2,3)9-18-21(19,20)12-7-10(8-17-4)6-11(15)13(12)16/h6-7,17-18H,5,8-9H2,1-4H3
InChIKeyQQMLHKBHJNFOLE-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053788
2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 105120080
4-chloro-N-(2,2-dimethylbutyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 103466084
N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 103465956
5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide
CID 105120027
N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103461134
5-amino-3-bromo-N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103460051
N-butyl-2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide
CID 105120214
2-bromo-N-(2,2-dimethylbutyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 103466005
N-butyl-5-[(cyclopropylamino)methyl]-2,3-difluorobenzenesulfonamide
CID 105120221
2-fluoro-N-(2-methoxy-2-methylpropyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106079864
N-butyl-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79189657

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide (CID 103466290) is N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide is CCC(C)(C)CNS(=O)(=O)c1cc(CNC)cc(F)c1F.
What is the InChIKey of N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is QQMLHKBHJNFOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2S/c1-5-14(2,3)9-18-21(19,20)12-7-10(8-17-4)6-11(15)13(12)16/h6-7,17-18H,5,8-9H2,1-4H3.
What are the key properties of N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide?
N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 103466290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).