3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide

C10H12ClFN2O3S — CID 103051713

IUPAC3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NC2CC(O)C2)c1F
InChIInChI=1S/C10H12ClFN2O3S/c11-5-1-8(13)10(12)9(2-5)18(16,17)14-6-3-7(15)4-6/h1-2,6-7,14-15H,3-4,13H2
InChIKeyCXKYSBUJVMAYQN-UHFFFAOYSA-N
MW294.74 g/mol
LogP0.86
Rot. Bonds3

About 3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide (PubChem CID 103051713) has the molecular formula C10H12ClFN2O3S and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
PubChem CID103051713
Molecular FormulaC10H12ClFN2O3S
Molecular Weight294.74 g/mol
Exact Mass294.02
IUPAC Name3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NC2CC(O)C2)c1F
InChIInChI=1S/C10H12ClFN2O3S/c11-5-1-8(13)10(12)9(2-5)18(16,17)14-6-3-7(15)4-6/h1-2,6-7,14-15H,3-4,13H2
InChIKeyCXKYSBUJVMAYQN-UHFFFAOYSA-N
XLogP0.86
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide
CID 103050695
3-amino-5-chloro-2-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103052244
3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358771
3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 103051474
3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 107343661
3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103051627
3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide
CID 103051710
3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 103050568
1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103051379
3-amino-5-chloro-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 103051535
5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467079
3-amino-5-chloro-2-fluoro-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 103051825

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide (CID 103051713) is 3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NC2CC(O)C2)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide?
The InChIKey is CXKYSBUJVMAYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O3S/c11-5-1-8(13)10(12)9(2-5)18(16,17)14-6-3-7(15)4-6/h1-2,6-7,14-15H,3-4,13H2.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide has a molecular weight of 294.74 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide is sourced from PubChem (CID 103051713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).