N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide

C14H13ClFNO3S — CID 82722720

IUPACN-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(F)cc2O)c(C)c1
InChIInChI=1S/C14H13ClFNO3S/c1-8-3-4-14(9(2)5-8)21(19,20)17-12-6-10(15)11(16)7-13(12)18/h3-7,17-18H,1-2H3
InChIKeySMDCDTWIPOVBCX-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.60
Rot. Bonds3

About N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide

N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 82722720) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide
PubChem CID82722720
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC NameN-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(F)cc2O)c(C)c1
InChIInChI=1S/C14H13ClFNO3S/c1-8-3-4-14(9(2)5-8)21(19,20)17-12-6-10(15)11(16)7-13(12)18/h3-7,17-18H,1-2H3
InChIKeySMDCDTWIPOVBCX-UHFFFAOYSA-N
XLogP3.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 82719616
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103088377
N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 82720133
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303998
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 82721249
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide
CID 25391427

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide (CID 82722720) is N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(F)cc2O)c(C)c1.
What is the InChIKey of N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is SMDCDTWIPOVBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-8-3-4-14(9(2)5-8)21(19,20)17-12-6-10(15)11(16)7-13(12)18/h3-7,17-18H,1-2H3.
What are the key properties of N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide?
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 82722720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).