3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide

C8H8ClF3N2O3S — CID 18373426

IUPAC3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NC(F)C(F)F)c1O
InChIInChI=1S/C8H8ClF3N2O3S/c9-3-1-2-4(13)5(15)6(3)18(16,17)14-8(12)7(10)11/h1-2,7-8,14-15H,13H2
InChIKeyDCECXCWCMAXASN-UHFFFAOYSA-N
MW304.68 g/mol
LogP1.47
Rot. Bonds4

About 3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide

3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 18373426) has the molecular formula C8H8ClF3N2O3S and a molecular weight of 304.68 g/mol. Its IUPAC name is 3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID18373426
Molecular FormulaC8H8ClF3N2O3S
Molecular Weight304.68 g/mol
Exact Mass303.99
IUPAC Name3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NC(F)C(F)F)c1O
InChIInChI=1S/C8H8ClF3N2O3S/c9-3-1-2-4(13)5(15)6(3)18(16,17)14-8(12)7(10)11/h1-2,7-8,14-15H,13H2
InChIKeyDCECXCWCMAXASN-UHFFFAOYSA-N
XLogP1.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.68
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide (CID 18373426) is 3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide is Nc1ccc(Cl)c(S(=O)(=O)NC(F)C(F)F)c1O.
What is the InChIKey of 3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is DCECXCWCMAXASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O3S/c9-3-1-2-4(13)5(15)6(3)18(16,17)14-8(12)7(10)11/h1-2,7-8,14-15H,13H2.
What are the key properties of 3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide?
3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 304.68 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 18373426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).