4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide

C10H13FN2O2S — CID 79190542

IUPAC4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NC2CC2)c(F)c1
InChIInChI=1S/C10H13FN2O2S/c11-9-5-7(6-12)1-4-10(9)16(14,15)13-8-2-3-8/h1,4-5,8,13H,2-3,6,12H2
InChIKeySWQHCBZGCFULRM-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.73
Rot. Bonds4

About 4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide

4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide (PubChem CID 79190542) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
PubChem CID79190542
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NC2CC2)c(F)c1
InChIInChI=1S/C10H13FN2O2S/c11-9-5-7(6-12)1-4-10(9)16(14,15)13-8-2-3-8/h1,4-5,8,13H,2-3,6,12H2
InChIKeySWQHCBZGCFULRM-UHFFFAOYSA-N
XLogP0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide
CID 79190765
4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106068638
4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 106074086
4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 106069126
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106053054
4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106002905
5-(aminomethyl)-N-cyclopentyl-2,3-difluorobenzenesulfonamide
CID 105120152
2-fluoro-4-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000991
4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061759
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769
N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119970709
4-(aminomethyl)-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 106052902

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide (CID 79190542) is 4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide is NCc1ccc(S(=O)(=O)NC2CC2)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide?
The InChIKey is SWQHCBZGCFULRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-9-5-7(6-12)1-4-10(9)16(14,15)13-8-2-3-8/h1,4-5,8,13H,2-3,6,12H2.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide?
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide has a molecular weight of 244.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 79190542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).