4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide

C12H16F2N2O3S — CID 102859183

IUPAC4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)N(CCO)C2CCC2)c(F)c1
InChIInChI=1S/C12H16F2N2O3S/c13-10-6-8(15)7-11(14)12(10)20(18,19)16(4-5-17)9-2-1-3-9/h6-7,9,17H,1-5,15H2
InChIKeyTWPFOLDROZLFSS-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.08
Rot. Bonds5

About 4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide

4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 102859183) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID102859183
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)N(CCO)C2CCC2)c(F)c1
InChIInChI=1S/C12H16F2N2O3S/c13-10-6-8(15)7-11(14)12(10)20(18,19)16(4-5-17)9-2-1-3-9/h6-7,9,17H,1-5,15H2
InChIKeyTWPFOLDROZLFSS-UHFFFAOYSA-N
XLogP1.08
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.08
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

5-amino-N-cyclopentyl-2,3-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 65020823
2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859154
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 79588511
N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide
CID 102874463
N-cyclopropyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577670
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327564
3-amino-N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140188
4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675801
N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675891
4-bromo-N-cyclobutyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675823
2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859200
5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61138671

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 102859183) is 4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide is Nc1cc(F)c(S(=O)(=O)N(CCO)C2CCC2)c(F)c1.
What is the InChIKey of 4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is TWPFOLDROZLFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c13-10-6-8(15)7-11(14)12(10)20(18,19)16(4-5-17)9-2-1-3-9/h6-7,9,17H,1-5,15H2.
What are the key properties of 4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 306.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 102859183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).