5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide

C12H16ClFN2O3S — CID 62366150

IUPAC5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CCCCC2O)c(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O3S/c13-7-5-8(14)9(15)6-12(7)20(18,19)16-10-3-1-2-4-11(10)17/h5-6,10-11,16-17H,1-4,15H2
InChIKeyWXLITDKMRYIBBA-UHFFFAOYSA-N
MW322.79 g/mol
LogP1.64
Rot. Bonds3

About 5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide

5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 62366150) has the molecular formula C12H16ClFN2O3S and a molecular weight of 322.79 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
PubChem CID62366150
Molecular FormulaC12H16ClFN2O3S
Molecular Weight322.79 g/mol
Exact Mass322.06
IUPAC Name5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CCCCC2O)c(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O3S/c13-7-5-8(14)9(15)6-12(7)20(18,19)16-10-3-1-2-4-11(10)17/h5-6,10-11,16-17H,1-4,15H2
InChIKeyWXLITDKMRYIBBA-UHFFFAOYSA-N
XLogP1.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.64
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

5-amino-2,4-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213623
5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
CID 107213615
5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 61113212
5-amino-3-chloro-2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213485
4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
4-amino-3-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 82844106
4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213611
5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide
CID 61111911
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529
5-amino-2-chloro-N-(1,1-dioxothian-3-yl)-4-fluorobenzenesulfonamide
CID 63923877
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide (CID 62366150) is 5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NC2CCCCC2O)c(Cl)cc1F.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is WXLITDKMRYIBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O3S/c13-7-5-8(14)9(15)6-12(7)20(18,19)16-10-3-1-2-4-11(10)17/h5-6,10-11,16-17H,1-4,15H2.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide has a molecular weight of 322.79 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 62366150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).