3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide

C13H18ClFN2O3S — CID 106093102

IUPAC3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide
SMILESCOC1CCC(NS(=O)(=O)c2cc(F)c(Cl)c(CN)c2)C1
InChIInChI=1S/C13H18ClFN2O3S/c1-20-10-3-2-9(5-10)17-21(18,19)11-4-8(7-16)13(14)12(15)6-11/h4,6,9-10,17H,2-3,5,7,16H2,1H3
InChIKeyAERPXTLOTUHFHM-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.78
Rot. Bonds5

About 3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide

3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide (PubChem CID 106093102) has the molecular formula C13H18ClFN2O3S and a molecular weight of 336.82 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide
PubChem CID106093102
Molecular FormulaC13H18ClFN2O3S
Molecular Weight336.82 g/mol
Exact Mass336.07
IUPAC Name3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide
SMILESCOC1CCC(NS(=O)(=O)c2cc(F)c(Cl)c(CN)c2)C1
InChIInChI=1S/C13H18ClFN2O3S/c1-20-10-3-2-9(5-10)17-21(18,19)11-4-8(7-16)13(14)12(15)6-11/h4,6,9-10,17H,2-3,5,7,16H2,1H3
InChIKeyAERPXTLOTUHFHM-UHFFFAOYSA-N
XLogP1.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide
CID 81456909
3-(aminomethyl)-4-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025568
3-(aminomethyl)-4-chloro-N-(cyclopropylmethyl)-5-fluorobenzenesulfonamide
CID 81457460
4-chloro-N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide
CID 81457354
[2-chloro-3-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 103541465
[2-chloro-3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanamine
CID 102971844
3-(aminomethyl)-4-chloro-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 81457810
3-(aminomethyl)-4-chloro-5-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 106032224
2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091356
N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106093079
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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide (CID 106093102) is 3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide is COC1CCC(NS(=O)(=O)c2cc(F)c(Cl)c(CN)c2)C1.
What is the InChIKey of 3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide?
The InChIKey is AERPXTLOTUHFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O3S/c1-20-10-3-2-9(5-10)17-21(18,19)11-4-8(7-16)13(14)12(15)6-11/h4,6,9-10,17H,2-3,5,7,16H2,1H3.
What are the key properties of 3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide?
3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide has a molecular weight of 336.82 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide is sourced from PubChem (CID 106093102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).