N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide

C13H10Cl2FNO3S — CID 19109274

IUPACN-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C13H10Cl2FNO3S/c1-20-13-5-3-9(7-11(13)16)21(18,19)17-12-6-8(14)2-4-10(12)15/h2-7,17H,1H3
InChIKeyWAMKYCGWZBTTGE-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.94
Rot. Bonds4

About N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide

N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 19109274) has the molecular formula C13H10Cl2FNO3S and a molecular weight of 350.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID19109274
Molecular FormulaC13H10Cl2FNO3S
Molecular Weight350.20 g/mol
Exact Mass348.97
IUPAC NameN-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C13H10Cl2FNO3S/c1-20-13-5-3-9(7-11(13)16)21(18,19)17-12-6-8(14)2-4-10(12)15/h2-7,17H,1H3
InChIKeyWAMKYCGWZBTTGE-UHFFFAOYSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 112811750
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 4847840
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 102976123
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide
CID 103710408
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
4-amino-N-(2-chloro-5-fluorophenyl)-3-methoxybenzenesulfonamide
CID 107526733

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide (CID 19109274) is N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1F.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is WAMKYCGWZBTTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO3S/c1-20-13-5-3-9(7-11(13)16)21(18,19)17-12-6-8(14)2-4-10(12)15/h2-7,17H,1H3.
What are the key properties of N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 350.20 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 19109274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).