4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide

C13H10ClF2NO3S — CID 63036597

IUPAC4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cccc(Cl)c2)c(F)c1F
InChIInChI=1S/C13H10ClF2NO3S/c14-9-3-1-2-8(6-9)7-20-10-4-5-11(21(17,18)19)13(16)12(10)15/h1-6H,7H2,(H2,17,18,19)
InChIKeyWPSKRBKFMHRBHK-UHFFFAOYSA-N
MW333.74 g/mol
LogP2.84
Rot. Bonds4

About 4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide

4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide (PubChem CID 63036597) has the molecular formula C13H10ClF2NO3S and a molecular weight of 333.74 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide
PubChem CID63036597
Molecular FormulaC13H10ClF2NO3S
Molecular Weight333.74 g/mol
Exact Mass333.00
IUPAC Name4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cccc(Cl)c2)c(F)c1F
InChIInChI=1S/C13H10ClF2NO3S/c14-9-3-1-2-8(6-9)7-20-10-4-5-11(21(17,18)19)13(16)12(10)15/h1-6H,7H2,(H2,17,18,19)
InChIKeyWPSKRBKFMHRBHK-UHFFFAOYSA-N
XLogP2.84
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide
CID 43342532
3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide
CID 43342289
2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride
CID 63036759
2,5-dichloro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342560
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
2,3-dichloro-4-phenylmethoxybenzenesulfonamide
CID 43164582
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 62105360
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide
CID 43342544
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide (CID 63036597) is 4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide is NS(=O)(=O)c1ccc(OCc2cccc(Cl)c2)c(F)c1F.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide?
The InChIKey is WPSKRBKFMHRBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO3S/c14-9-3-1-2-8(6-9)7-20-10-4-5-11(21(17,18)19)13(16)12(10)15/h1-6H,7H2,(H2,17,18,19).
What are the key properties of 4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide?
4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide has a molecular weight of 333.74 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 63036597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).