3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide

C18H13ClF2N2O2S — CID 11581993

IUPAC3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cccc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C18H13ClF2N2O2S/c1-11-14(19)4-2-6-17(11)26(24,25)23-18-7-3-5-16(22-18)13-9-8-12(20)10-15(13)21/h2-10H,1H3,(H,22,23)
InChIKeySSZRPMUPGJERLS-UHFFFAOYSA-N
MW394.83 g/mol
LogP4.79
Rot. Bonds4

About 3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide

3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 11581993) has the molecular formula C18H13ClF2N2O2S and a molecular weight of 394.83 g/mol. Its IUPAC name is 3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID11581993
Molecular FormulaC18H13ClF2N2O2S
Molecular Weight394.83 g/mol
Exact Mass394.04
IUPAC Name3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cccc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C18H13ClF2N2O2S/c1-11-14(19)4-2-6-17(11)26(24,25)23-18-7-3-5-16(22-18)13-9-8-12(20)10-15(13)21/h2-10H,1H3,(H,22,23)
InChIKeySSZRPMUPGJERLS-UHFFFAOYSA-N
XLogP4.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide (CID 11581993) is 3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is SSZRPMUPGJERLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O2S/c1-11-14(19)4-2-6-17(11)26(24,25)23-18-7-3-5-16(22-18)13-9-8-12(20)10-15(13)21/h2-10H,1H3,(H,22,23).
What are the key properties of 3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 394.83 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 11581993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).