N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide

C10H13FN2O2S — CID 82014016

IUPACN-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide
SMILESNCc1cc(F)ccc1NS(=O)(=O)C1CC1
InChIInChI=1S/C10H13FN2O2S/c11-8-1-4-10(7(5-8)6-12)13-16(14,15)9-2-3-9/h1,4-5,9,13H,2-3,6,12H2
InChIKeyOPJWFYNNPJMBRZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.19
Rot. Bonds4

About N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide

N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide (PubChem CID 82014016) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide
PubChem CID82014016
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC NameN-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide
SMILESNCc1cc(F)ccc1NS(=O)(=O)C1CC1
InChIInChI=1S/C10H13FN2O2S/c11-8-1-4-10(7(5-8)6-12)13-16(14,15)9-2-3-9/h1,4-5,9,13H,2-3,6,12H2
InChIKeyOPJWFYNNPJMBRZ-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
CID 113460263
N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide
CID 62047509
N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
CID 61066206
N-(5-fluoro-2-hydroxyphenyl)cyclopentanesulfonamide
CID 105361240
N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide
CID 82013391
N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide
CID 82013705
N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide
CID 62085486
N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
CID 82015241
N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide
CID 64795142
N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide
CID 105360475
N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide
CID 65422211
6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid
CID 142066456

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide (CID 82014016) is N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide is NCc1cc(F)ccc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide?
The InChIKey is OPJWFYNNPJMBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-8-1-4-10(7(5-8)6-12)13-16(14,15)9-2-3-9/h1,4-5,9,13H,2-3,6,12H2.
What are the key properties of N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide?
N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide has a molecular weight of 244.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide is sourced from PubChem (CID 82014016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).