N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide

C18H13Cl2FN2O2S — CID 11618445

IUPACN-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C18H13Cl2FN2O2S/c1-11-5-7-13(21)9-16(11)26(24,25)23-17-8-6-12(10-22-17)14-3-2-4-15(19)18(14)20/h2-10H,1H3,(H,22,23)
InChIKeyLYYKEPLHLMJDBL-UHFFFAOYSA-N
MW411.29 g/mol
LogP5.30
Rot. Bonds4

About N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide

N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 11618445) has the molecular formula C18H13Cl2FN2O2S and a molecular weight of 411.29 g/mol. Its IUPAC name is N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID11618445
Molecular FormulaC18H13Cl2FN2O2S
Molecular Weight411.29 g/mol
Exact Mass410.01
IUPAC NameN-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C18H13Cl2FN2O2S/c1-11-5-7-13(21)9-16(11)26(24,25)23-17-8-6-12(10-22-17)14-3-2-4-15(19)18(14)20/h2-10H,1H3,(H,22,23)
InChIKeyLYYKEPLHLMJDBL-UHFFFAOYSA-N
XLogP5.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
CID 69069595
N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113456965
2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
5-fluoro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide
CID 11617715
N-(5-amino-4-methyl-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 61293161
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
5-(2,3-dichlorophenyl)-2-methylpyridine
CID 173126972

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide (CID 11618445) is N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is LYYKEPLHLMJDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O2S/c1-11-5-7-13(21)9-16(11)26(24,25)23-17-8-6-12(10-22-17)14-3-2-4-15(19)18(14)20/h2-10H,1H3,(H,22,23).
What are the key properties of N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 411.29 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 11618445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).