N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride

C8H11ClF2N2O2S — CID 119960023

IUPACN-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C8H10F2N2O2S.ClH/c9-6-2-1-3-7(8(6)10)15(13,14)12-5-4-11;/h1-3,12H,4-5,11H2;1H
InChIKeyMRBVEEJBCVCGFS-UHFFFAOYSA-N
MW272.70 g/mol
LogP0.62
Rot. Bonds4

About N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride (PubChem CID 119960023) has the molecular formula C8H11ClF2N2O2S and a molecular weight of 272.70 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride
PubChem CID119960023
Molecular FormulaC8H11ClF2N2O2S
Molecular Weight272.70 g/mol
Exact Mass272.02
IUPAC NameN-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C8H10F2N2O2S.ClH/c9-6-2-1-3-7(8(6)10)15(13,14)12-5-4-11;/h1-3,12H,4-5,11H2;1H
InChIKeyMRBVEEJBCVCGFS-UHFFFAOYSA-N
XLogP0.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
N-(3-aminopropyl)-3-bromo-2-fluorobenzenesulfonamide
CID 120706743
N-(2-aminoethyl)-2-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119960164
N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86814122
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
N-tert-butyl-2,3-difluorobenzenesulfonamide
CID 167068212
N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide
CID 86814125
N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119385406
N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide
CID 119980686
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974119

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride (CID 119960023) is N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride is Cl.NCCNS(=O)(=O)c1cccc(F)c1F.
What is the InChIKey of N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride?
The InChIKey is MRBVEEJBCVCGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S.ClH/c9-6-2-1-3-7(8(6)10)15(13,14)12-5-4-11;/h1-3,12H,4-5,11H2;1H.
What are the key properties of N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride has a molecular weight of 272.70 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).