N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride

C9H14ClFN2O2S — CID 86814122

IUPACN-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCN)c(F)c1.Cl
InChIInChI=1S/C9H13FN2O2S.ClH/c1-7-2-3-9(8(10)6-7)15(13,14)12-5-4-11;/h2-3,6,12H,4-5,11H2,1H3;1H
InChIKeyYGUVPCUUFIZYGW-UHFFFAOYSA-N
MW268.74 g/mol
LogP0.79
Rot. Bonds4

About N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 86814122) has the molecular formula C9H14ClFN2O2S and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
PubChem CID86814122
Molecular FormulaC9H14ClFN2O2S
Molecular Weight268.74 g/mol
Exact Mass268.04
IUPAC NameN-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCN)c(F)c1.Cl
InChIInChI=1S/C9H13FN2O2S.ClH/c1-7-2-3-9(8(10)6-7)15(13,14)12-5-4-11;/h2-3,6,12H,4-5,11H2,1H3;1H
InChIKeyYGUVPCUUFIZYGW-UHFFFAOYSA-N
XLogP0.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 120583305
N-ethyl-2-fluoro-4-methylbenzenesulfonamide
CID 130158865
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide
CID 119989897
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid
CID 154862951
N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride
CID 119960023
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride
CID 120583388

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride (CID 86814122) is N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCCN)c(F)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is YGUVPCUUFIZYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S.ClH/c1-7-2-3-9(8(10)6-7)15(13,14)12-5-4-11;/h2-3,6,12H,4-5,11H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 268.74 g/mol, XLogP of 0.79, 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-fluoro-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 86814122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).