3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide

C14H20F2N2O2S — CID 107343626

IUPAC3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2ccc(F)c(N)c2F)C1C
InChIInChI=1S/C14H20F2N2O2S/c1-3-9-4-6-11(8(9)2)18-21(19,20)12-7-5-10(15)14(17)13(12)16/h5,7-9,11,18H,3-4,6,17H2,1-2H3
InChIKeyYXIHOCVBIUXMGW-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.65
Rot. Bonds4

About 3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide

3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide (PubChem CID 107343626) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide
PubChem CID107343626
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2ccc(F)c(N)c2F)C1C
InChIInChI=1S/C14H20F2N2O2S/c1-3-9-4-6-11(8(9)2)18-21(19,20)12-7-5-10(15)14(17)13(12)16/h5,7-9,11,18H,3-4,6,17H2,1-2H3
InChIKeyYXIHOCVBIUXMGW-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide
CID 64921745
3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107343819
3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 107343661
4-(ethylamino)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64915651
3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416435
3-amino-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 107343683
3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 107343713
3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide
CID 64916244
5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 61466373
5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
CID 64916624
4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916419
N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide
CID 93453513

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide (CID 107343626) is 3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide is CCC1CCC(NS(=O)(=O)c2ccc(F)c(N)c2F)C1C.
What is the InChIKey of 3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is YXIHOCVBIUXMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-3-9-4-6-11(8(9)2)18-21(19,20)12-7-5-10(15)14(17)13(12)16/h5,7-9,11,18H,3-4,6,17H2,1-2H3.
What are the key properties of 3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide?
3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 107343626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).