3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide

C10H12F2N2O3S — CID 107343661

IUPAC3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NC2CC(O)C2)c1F
InChIInChI=1S/C10H12F2N2O3S/c11-7-1-2-8(9(12)10(7)13)18(16,17)14-5-3-6(15)4-5/h1-2,5-6,14-15H,3-4,13H2
InChIKeyYSGKWWLZZDZJQP-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.35
Rot. Bonds3

About 3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide

3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide (PubChem CID 107343661) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
PubChem CID107343661
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NC2CC(O)C2)c1F
InChIInChI=1S/C10H12F2N2O3S/c11-7-1-2-8(9(12)10(7)13)18(16,17)14-5-3-6(15)4-5/h1-2,5-6,14-15H,3-4,13H2
InChIKeyYSGKWWLZZDZJQP-UHFFFAOYSA-N
XLogP0.35
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.35
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-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 107343713
3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 103051713
3-amino-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 107343683
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107343819
3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide
CID 107343626
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118102
3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide
CID 107343820
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
3-amino-N-(2-bromoprop-2-enyl)-2,4-difluorobenzenesulfonamide
CID 107343821
3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 107343168
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
CID 107343536

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide (CID 107343661) is 3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide is Nc1c(F)ccc(S(=O)(=O)NC2CC(O)C2)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide?
The InChIKey is YSGKWWLZZDZJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c11-7-1-2-8(9(12)10(7)13)18(16,17)14-5-3-6(15)4-5/h1-2,5-6,14-15H,3-4,13H2.
What are the key properties of 3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide?
3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide has a molecular weight of 278.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide is sourced from PubChem (CID 107343661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).