N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride

C15H24ClFN2O2S — CID 119998528

IUPACN-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(F)c(S(=O)(=O)NCC2(N)CCCCCC2)c1.Cl
InChIInChI=1S/C15H23FN2O2S.ClH/c1-12-6-7-13(16)14(10-12)21(19,20)18-11-15(17)8-4-2-3-5-9-15;/h6-7,10,18H,2-5,8-9,11,17H2,1H3;1H
InChIKeyZTPKPZSJIBFWGM-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.89
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride

N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride (PubChem CID 119998528) has the molecular formula C15H24ClFN2O2S and a molecular weight of 350.89 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride
PubChem CID119998528
Molecular FormulaC15H24ClFN2O2S
Molecular Weight350.89 g/mol
Exact Mass350.12
IUPAC NameN-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(F)c(S(=O)(=O)NCC2(N)CCCCCC2)c1.Cl
InChIInChI=1S/C15H23FN2O2S.ClH/c1-12-6-7-13(16)14(10-12)21(19,20)18-11-15(17)8-4-2-3-5-9-15;/h6-7,10,18H,2-5,8-9,11,17H2,1H3;1H
InChIKeyZTPKPZSJIBFWGM-UHFFFAOYSA-N
XLogP2.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 43598135
N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119958873
2-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methylbenzenesulfonamide
CID 115755603
N-[(1-aminocyclohexyl)methyl]-2,4-difluorobenzenesulfonamide;hydrochloride
CID 119958843
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119958709
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
1-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445428
N-[(1-aminocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119958821
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 43598226
N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 120998687
N-[(1-aminocycloheptyl)methyl]-3-fluoro-2-nitrobenzenesulfonamide;hydrochloride
CID 119998530

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride (CID 119998528) is N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride is Cc1ccc(F)c(S(=O)(=O)NCC2(N)CCCCCC2)c1.Cl.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride?
The InChIKey is ZTPKPZSJIBFWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S.ClH/c1-12-6-7-13(16)14(10-12)21(19,20)18-11-15(17)8-4-2-3-5-9-15;/h6-7,10,18H,2-5,8-9,11,17H2,1H3;1H.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride?
N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119998528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).