N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride

C8H11ClF2N2O2S — CID 67241880

IUPACN-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(F)c(CN)cc1F.Cl
InChIInChI=1S/C8H10F2N2O2S.ClH/c1-15(13,14)12-8-3-6(9)5(4-11)2-7(8)10;/h2-3,12H,4,11H2,1H3;1H
InChIKeyUTVYMRDNMCINNC-UHFFFAOYSA-N
MW272.70 g/mol
LogP1.22
Rot. Bonds3

About N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride

N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride (PubChem CID 67241880) has the molecular formula C8H11ClF2N2O2S and a molecular weight of 272.70 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride
PubChem CID67241880
Molecular FormulaC8H11ClF2N2O2S
Molecular Weight272.70 g/mol
Exact Mass272.02
IUPAC NameN-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(F)c(CN)cc1F.Cl
InChIInChI=1S/C8H10F2N2O2S.ClH/c1-15(13,14)12-8-3-6(9)5(4-11)2-7(8)10;/h2-3,12H,4,11H2,1H3;1H
InChIKeyUTVYMRDNMCINNC-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(1R)-1-aminoethyl]-2,5-difluorophenyl]methanesulfonamide;hydrochloride
CID 67047461
2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
CID 68721183
2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride
CID 141137418
N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide
CID 89372928
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride
CID 66718598
N-(2-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64786305
2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide
CID 79814001
N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide
CID 88577306
N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119582617
3-(4-tert-butylphenyl)-N-[[2,5-difluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 67242504
(2-fluoro-4-methyl-5-nitrophenyl)methanamine
CID 131056315

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride (CID 67241880) is N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1cc(F)c(CN)cc1F.Cl.
What is the InChIKey of N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride?
The InChIKey is UTVYMRDNMCINNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S.ClH/c1-15(13,14)12-8-3-6(9)5(4-11)2-7(8)10;/h2-3,12H,4,11H2,1H3;1H.
What are the key properties of N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride?
N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride has a molecular weight of 272.70 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 67241880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).