N-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide

C14H21FN2O2S — CID 139935623

IUPACN-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1CCC(CN)CC1
InChIInChI=1S/C14H21FN2O2S/c1-10-8-12(15)4-7-14(10)20(18,19)17-13-5-2-11(9-16)3-6-13/h4,7-8,11,13,17H,2-3,5-6,9,16H2,1H3
InChIKeyISSSQZZHBDTYKM-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.93
Rot. Bonds4

About N-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide

N-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 139935623) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID139935623
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1CCC(CN)CC1
InChIInChI=1S/C14H21FN2O2S/c1-10-8-12(15)4-7-14(10)20(18,19)17-13-5-2-11(9-16)3-6-13/h4,7-8,11,13,17H,2-3,5-6,9,16H2,1H3
InChIKeyISSSQZZHBDTYKM-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
N-Ethyl-o-toluenesulfonamide
CID 14110
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
N-cycloheptyl-4-methylbenzenesulfonamide
CID 668969
4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 3703019
N-(3-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 3471422
2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3715583
2,5-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 4788453
N-(1-methyl-3-phenylpropyl)benzenesulfonamide
CID 2914449
2,4,6-Trimethyl-N-[(1S)-1-methyl-3-phenylpropyl]benzenesulfonamide
CID 7275458
4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 668799
N-(3-phenylpropyl)benzenesulfonamide
CID 3600699

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide (CID 139935623) is N-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NC1CCC(CN)CC1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is ISSSQZZHBDTYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-10-8-12(15)4-7-14(10)20(18,19)17-13-5-2-11(9-16)3-6-13/h4,7-8,11,13,17H,2-3,5-6,9,16H2,1H3.
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 139935623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).