4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide

C15H23FN2O2S — CID 79179448

IUPAC4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)c2ccc(CN)cc2F)CC1
InChIInChI=1S/C15H23FN2O2S/c1-11-3-6-13(7-4-11)18(2)21(19,20)15-8-5-12(10-17)9-14(15)16/h5,8-9,11,13H,3-4,6-7,10,17H2,1-2H3
InChIKeyFLGVWABDOAEKDW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.48
Rot. Bonds4

About 4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide

4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 79179448) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID79179448
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)c2ccc(CN)cc2F)CC1
InChIInChI=1S/C15H23FN2O2S/c1-11-3-6-13(7-4-11)18(2)21(19,20)15-8-5-12(10-17)9-14(15)16/h5,8-9,11,13H,3-4,6-7,10,17H2,1-2H3
InChIKeyFLGVWABDOAEKDW-UHFFFAOYSA-N
XLogP2.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 79177446
4-(aminomethyl)-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 79187466
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
CID 79186964
N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 79187108
N-cycloheptyl-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178549
1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide
CID 47358758
4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
CID 79186743
2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60545461
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 79178566
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 79178367
5-amino-4-bromo-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 116529919
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107402875

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (CID 79179448) is 4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is CC1CCC(N(C)S(=O)(=O)c2ccc(CN)cc2F)CC1.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is FLGVWABDOAEKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11-3-6-13(7-4-11)18(2)21(19,20)15-8-5-12(10-17)9-14(15)16/h5,8-9,11,13H,3-4,6-7,10,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 79179448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).