N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide

C14H22F2N2O2S — CID 62009856

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H22F2N2O2S/c1-4-14(5-2,10-17)18(6-3)21(19,20)13-8-7-11(15)9-12(13)16/h7-9H,4-6,10,17H2,1-3H3
InChIKeyCKAWAVRLAOERCX-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.49
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide (PubChem CID 62009856) has the molecular formula C14H22F2N2O2S and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide
PubChem CID62009856
Molecular FormulaC14H22F2N2O2S
Molecular Weight320.40 g/mol
Exact Mass320.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H22F2N2O2S/c1-4-14(5-2,10-17)18(6-3)21(19,20)13-8-7-11(15)9-12(13)16/h7-9H,4-6,10,17H2,1-3H3
InChIKeyCKAWAVRLAOERCX-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
CID 61133614
N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493948
N-(2-aminophenyl)-N-ethyl-2,4-difluorobenzenesulfonamide
CID 62101650
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325986
N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 62008245
2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 74225327
N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 62010238
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2-fluorobenzenesulfonamide
CID 79667782
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 116527347
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714748
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 62009438

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide (CID 62009856) is N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide is CCN(C(CC)(CC)CN)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide?
The InChIKey is CKAWAVRLAOERCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2S/c1-4-14(5-2,10-17)18(6-3)21(19,20)13-8-7-11(15)9-12(13)16/h7-9H,4-6,10,17H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide has a molecular weight of 320.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 62009856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).