3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide

C13H18F2N2O2S — CID 107416435

IUPAC3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1CCCC1CNS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C13H18F2N2O2S/c1-8-3-2-4-9(8)7-17-20(18,19)11-6-5-10(14)13(16)12(11)15/h5-6,8-9,17H,2-4,7,16H2,1H3
InChIKeyDTQPSHFXFIADSI-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.26
Rot. Bonds4

About 3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide

3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 107416435) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID107416435
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1CCCC1CNS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C13H18F2N2O2S/c1-8-3-2-4-9(8)7-17-20(18,19)11-6-5-10(14)13(16)12(11)15/h5-6,8-9,17H,2-4,7,16H2,1H3
InChIKeyDTQPSHFXFIADSI-UHFFFAOYSA-N
XLogP2.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.26
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

3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107343819
3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343158
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
4-amino-2,6-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416425
2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 63420657
3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343305
3-amino-N-(2,2-dicyclopropylethyl)-2,4-difluorobenzenesulfonamide
CID 107343649
2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 62147960
5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 106088324
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
CID 107343536
2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107420501
3-amino-4-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 115421485

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide (CID 107416435) is 3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide is CC1CCCC1CNS(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is DTQPSHFXFIADSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-8-3-2-4-9(8)7-17-20(18,19)11-6-5-10(14)13(16)12(11)15/h5-6,8-9,17H,2-4,7,16H2,1H3.
What are the key properties of 3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 107416435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).