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

C18H13F3N2O2S — CID 69069595

IUPACN-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2cccc(F)c2F)cn1
InChIInChI=1S/C18H13F3N2O2S/c1-11-5-7-13(19)9-16(11)26(24,25)23-17-8-6-12(10-22-17)14-3-2-4-15(20)18(14)21/h2-10H,1H3,(H,22,23)
InChIKeyBATRQUKYRUAOOO-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.28
Rot. Bonds4

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

N-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 69069595) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID69069595
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC NameN-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2cccc(F)c2F)cn1
InChIInChI=1S/C18H13F3N2O2S/c1-11-5-7-13(19)9-16(11)26(24,25)23-17-8-6-12(10-22-17)14-3-2-4-15(20)18(14)21/h2-10H,1H3,(H,22,23)
InChIKeyBATRQUKYRUAOOO-UHFFFAOYSA-N
XLogP4.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
CID 11618445
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-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113456965
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 17376579
4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634665

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide (CID 69069595) is N-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2cccc(F)c2F)cn1.
What is the InChIKey of N-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is BATRQUKYRUAOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c1-11-5-7-13(19)9-16(11)26(24,25)23-17-8-6-12(10-22-17)14-3-2-4-15(20)18(14)21/h2-10H,1H3,(H,22,23).
What are the key properties of N-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 378.38 g/mol, XLogP of 4.28, 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-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 69069595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).