5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide

C12H9ClF2N2O2S — CID 29275941

IUPAC5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C12H9ClF2N2O2S/c13-9-3-2-8(16)6-12(9)20(18,19)17-11-5-7(14)1-4-10(11)15/h1-6,17H,16H2
InChIKeyXVHAMGZPOVVSCO-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.00
Rot. Bonds3

About 5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide

5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide (PubChem CID 29275941) has the molecular formula C12H9ClF2N2O2S and a molecular weight of 318.73 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
PubChem CID29275941
Molecular FormulaC12H9ClF2N2O2S
Molecular Weight318.73 g/mol
Exact Mass318.00
IUPAC Name5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C12H9ClF2N2O2S/c13-9-3-2-8(16)6-12(9)20(18,19)17-11-5-7(14)1-4-10(11)15/h1-6,17H,16H2
InChIKeyXVHAMGZPOVVSCO-UHFFFAOYSA-N
XLogP3.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.00
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

N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399440
5-amino-2-chloro-N-(2,3,5-trifluorophenyl)benzenesulfonamide
CID 62810507
5-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 103584427
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 43438207
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide (CID 29275941) is 5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide is Nc1ccc(Cl)c(S(=O)(=O)Nc2cc(F)ccc2F)c1.
What is the InChIKey of 5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide?
The InChIKey is XVHAMGZPOVVSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2S/c13-9-3-2-8(16)6-12(9)20(18,19)17-11-5-7(14)1-4-10(11)15/h1-6,17H,16H2.
What are the key properties of 5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide?
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide has a molecular weight of 318.73 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 29275941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).