2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

C12H17FN2O3S — CID 102859154

IUPAC2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C12H17FN2O3S/c13-10-5-2-6-11(14)12(10)19(17,18)15(7-8-16)9-3-1-4-9/h2,5-6,9,16H,1,3-4,7-8,14H2
InChIKeyOGMKIHIKBDJXBA-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.94
Rot. Bonds5

About 2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 102859154) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID102859154
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C12H17FN2O3S/c13-10-5-2-6-11(14)12(10)19(17,18)15(7-8-16)9-3-1-4-9/h2,5-6,9,16H,1,3-4,7-8,14H2
InChIKeyOGMKIHIKBDJXBA-UHFFFAOYSA-N
XLogP0.94
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.94
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

N-cyclopropyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577670
4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859183
2-(aminomethyl)-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102861412
3-amino-N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140188
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327564
2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859200
N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675891
5-amino-N-cyclopentyl-2,3-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 65020823
4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675801
4-bromo-N-cyclobutyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675823
3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140381

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 102859154) is 2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is Nc1cccc(F)c1S(=O)(=O)N(CCO)C1CCC1.
What is the InChIKey of 2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is OGMKIHIKBDJXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-10-5-2-6-11(14)12(10)19(17,18)15(7-8-16)9-3-1-4-9/h2,5-6,9,16H,1,3-4,7-8,14H2.
What are the key properties of 2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 102859154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).