N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide

C15H23FN2O2S — CID 115308803

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C15H23FN2O2S/c1-11-6-7-13(16)9-14(11)21(19,20)18-15(10-17)8-4-3-5-12(15)2/h6-7,9,12,18H,3-5,8,10,17H2,1-2H3
InChIKeyOXWHBAXCTLGYOO-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.32
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 115308803) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID115308803
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C15H23FN2O2S/c1-11-6-7-13(16)9-14(11)21(19,20)18-15(10-17)8-4-3-5-12(15)2/h6-7,9,12,18H,3-5,8,10,17H2,1-2H3
InChIKeyOXWHBAXCTLGYOO-UHFFFAOYSA-N
XLogP2.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120607447
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119980798
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 115308869
N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide
CID 115308786
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoro-2-nitrobenzenesulfonamide
CID 120607231
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride
CID 120607414
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride
CID 120607415
methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate
CID 120607450
N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 114293734
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 120607480
methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride
CID 120607171
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide (CID 115308803) is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NC1(CN)CCCCC1C.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is OXWHBAXCTLGYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11-6-7-13(16)9-14(11)21(19,20)18-15(10-17)8-4-3-5-12(15)2/h6-7,9,12,18H,3-5,8,10,17H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 115308803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).