3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide

C13H18ClFN2O2S — CID 81456909

IUPAC3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)NC2CCCCC2)cc(F)c1Cl
InChIInChI=1S/C13H18ClFN2O2S/c14-13-9(8-16)6-11(7-12(13)15)20(18,19)17-10-4-2-1-3-5-10/h6-7,10,17H,1-5,8,16H2
InChIKeyNAWBRHSKTVQTGK-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.55
Rot. Bonds4

About 3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide

3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide (PubChem CID 81456909) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide
PubChem CID81456909
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)NC2CCCCC2)cc(F)c1Cl
InChIInChI=1S/C13H18ClFN2O2S/c14-13-9(8-16)6-11(7-12(13)15)20(18,19)17-10-4-2-1-3-5-10/h6-7,10,17H,1-5,8,16H2
InChIKeyNAWBRHSKTVQTGK-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-4-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025568
3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 106093102
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664
4-chloro-N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide
CID 81457354
3-(aminomethyl)-4-chloro-N-(cyclopropylmethyl)-5-fluorobenzenesulfonamide
CID 81457460
3-(aminomethyl)-4-chloro-5-fluoro-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072258
3-(aminomethyl)-4-chloro-N-(2,2-difluoroethyl)-5-fluorobenzenesulfonamide
CID 115409156
3-(aminomethyl)-4-chloro-5-fluoro-N-(2-fluoroethyl)benzenesulfonamide
CID 114267220
3-(aminomethyl)-4-chloro-5-fluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 106088390
3-(aminomethyl)-4-chloro-5-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 106032224
4-chloro-3-fluoro-5-(methylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081584
3-(aminomethyl)-4-chloro-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 81458602

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide (CID 81456909) is 3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide is NCc1cc(S(=O)(=O)NC2CCCCC2)cc(F)c1Cl.
What is the InChIKey of 3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide?
The InChIKey is NAWBRHSKTVQTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c14-13-9(8-16)6-11(7-12(13)15)20(18,19)17-10-4-2-1-3-5-10/h6-7,10,17H,1-5,8,16H2.
What are the key properties of 3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide?
3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide has a molecular weight of 320.82 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide is sourced from PubChem (CID 81456909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).