4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide

C13H19FN2O3S — CID 114947090

IUPAC4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H19FN2O3S/c1-16(9-13(17)6-2-3-7-13)20(18,19)12-5-4-10(15)8-11(12)14/h4-5,8,17H,2-3,6-7,9,15H2,1H3
InChIKeyIDAROOYVXIRJKC-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.33
Rot. Bonds4

About 4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide

4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 114947090) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
PubChem CID114947090
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H19FN2O3S/c1-16(9-13(17)6-2-3-7-13)20(18,19)12-5-4-10(15)8-11(12)14/h4-5,8,17H,2-3,6-7,9,15H2,1H3
InChIKeyIDAROOYVXIRJKC-UHFFFAOYSA-N
XLogP1.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114386523
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114947133
4-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzenesulfonamide
CID 114951831
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 114947166
N-[(1-hydroxycyclopentyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 114951772
N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948097
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 114951847
5-amino-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
CID 103287528
4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733356
1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947310
4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114948667
5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide
CID 114950111

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide (CID 114947090) is 4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide is CN(CC1(O)CCCC1)S(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is IDAROOYVXIRJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-16(9-13(17)6-2-3-7-13)20(18,19)12-5-4-10(15)8-11(12)14/h4-5,8,17H,2-3,6-7,9,15H2,1H3.
What are the key properties of 4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide?
4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 302.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 114947090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).