3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide

C13H18F2N2O2S — CID 106065762

IUPAC3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)c1ccc(F)c(CN)c1F
InChIInChI=1S/C13H18F2N2O2S/c1-8(6-9-2-3-9)17-20(18,19)12-5-4-11(14)10(7-16)13(12)15/h4-5,8-9,17H,2-3,6-7,16H2,1H3
InChIKeyMAJZDWMJWDDACB-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.89
Rot. Bonds6

About 3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide

3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 106065762) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide
PubChem CID106065762
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)c1ccc(F)c(CN)c1F
InChIInChI=1S/C13H18F2N2O2S/c1-8(6-9-2-3-9)17-20(18,19)12-5-4-11(14)10(7-16)13(12)15/h4-5,8-9,17H,2-3,6-7,16H2,1H3
InChIKeyMAJZDWMJWDDACB-UHFFFAOYSA-N
XLogP1.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-2,4-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 106057064
3-(aminomethyl)-2,4-difluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053770
4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 82844725
3-(aminomethyl)-2,4-difluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106085041
3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79361701
2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide
CID 63988907
3-amino-N-(1-cyclopropylpropan-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791897
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919425
N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide
CID 63996191
N-(1-cyclopropylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103300114
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
CID 63994997
2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502170

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide (CID 106065762) is 3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide is CC(CC1CC1)NS(=O)(=O)c1ccc(F)c(CN)c1F.
What is the InChIKey of 3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is MAJZDWMJWDDACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-8(6-9-2-3-9)17-20(18,19)12-5-4-11(14)10(7-16)13(12)15/h4-5,8-9,17H,2-3,6-7,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide?
3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 106065762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).