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

C11H14ClFN2O2S — CID 113467079

IUPAC5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2cc(N)cc(Cl)c2F)C1
InChIInChI=1S/C11H14ClFN2O2S/c1-6-2-8(3-6)15-18(16,17)10-5-7(14)4-9(12)11(10)13/h4-6,8,15H,2-3,14H2,1H3
InChIKeyZFYCPRMFWVBHTB-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.14
Rot. Bonds3

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

5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide (PubChem CID 113467079) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
PubChem CID113467079
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC Name5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2cc(N)cc(Cl)c2F)C1
InChIInChI=1S/C11H14ClFN2O2S/c1-6-2-8(3-6)15-18(16,17)10-5-7(14)4-9(12)11(10)13/h4-6,8,15H,2-3,14H2,1H3
InChIKeyZFYCPRMFWVBHTB-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 55071329
4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64748610
5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257648
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
5-amino-3-chloro-2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213485
5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
CID 64732456
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937
4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
CID 64733233
5-amino-3-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104155
2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine
CID 106890772
3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 79885079

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide (CID 113467079) is 5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide is CC1CC(NS(=O)(=O)c2cc(N)cc(Cl)c2F)C1.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide?
The InChIKey is ZFYCPRMFWVBHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c1-6-2-8(3-6)15-18(16,17)10-5-7(14)4-9(12)11(10)13/h4-6,8,15H,2-3,14H2,1H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide has a molecular weight of 292.76 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113467079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).