N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide

C13H11ClFNO3S — CID 41446937

IUPACN-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClFNO3S/c1-19-12-7-4-10(15)8-13(12)20(17,18)16-11-5-2-9(14)3-6-11/h2-8,16H,1H3
InChIKeyKHEVAOYDEVHTEI-UHFFFAOYSA-N
MW315.75 g/mol
LogP3.29
Rot. Bonds4

About N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide

N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide (PubChem CID 41446937) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
PubChem CID41446937
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC NameN-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClFNO3S/c1-19-12-7-4-10(15)8-13(12)20(17,18)16-11-5-2-9(14)3-6-11/h2-8,16H,1H3
InChIKeyKHEVAOYDEVHTEI-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185
4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate
CID 7312195
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide
CID 113092578
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide
CID 9474134

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide (CID 41446937) is N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide?
The InChIKey is KHEVAOYDEVHTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c1-19-12-7-4-10(15)8-13(12)20(17,18)16-11-5-2-9(14)3-6-11/h2-8,16H,1H3.
What are the key properties of N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide?
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide has a molecular weight of 315.75 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 41446937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).