3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide

C13H18F2N2O2S — CID 107343551

IUPAC3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C13H18F2N2O2S/c1-17(8-9-4-2-3-5-9)20(18,19)11-7-6-10(14)13(16)12(11)15/h6-7,9H,2-5,8,16H2,1H3
InChIKeyVAWCPOIHFFAESZ-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.36
Rot. Bonds4

About 3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide

3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 107343551) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID107343551
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C13H18F2N2O2S/c1-17(8-9-4-2-3-5-9)20(18,19)11-7-6-10(14)13(16)12(11)15/h6-7,9H,2-5,8,16H2,1H3
InChIKeyVAWCPOIHFFAESZ-UHFFFAOYSA-N
XLogP2.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343235
2,3,4-trifluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630762
4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63631384
2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide
CID 107343162
3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343158
3-amino-2-bromo-5-chloro-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63633294
2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62854427
3-amino-N-ethyl-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343328
2-amino-N-(cyclohexylmethyl)-N-methylpyridine-3-sulfonamide
CID 62151896
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide
CID 63656151
3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide
CID 107343147
2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62856614

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide (CID 107343551) is 3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide is CN(CC1CCCC1)S(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is VAWCPOIHFFAESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-17(8-9-4-2-3-5-9)20(18,19)11-7-6-10(14)13(16)12(11)15/h6-7,9H,2-5,8,16H2,1H3.
What are the key properties of 3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide?
3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 107343551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).