2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide

C14H14F2N2O2S — CID 11609309

IUPAC2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C14H14F2N2O2S/c1-9(2)12-4-3-5-14(17-12)18-21(19,20)13-8-10(15)6-7-11(13)16/h3-9H,1-2H3,(H,17,18)
InChIKeyYRWSMQGCEIXRPQ-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.28
Rot. Bonds4

About 2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide

2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide (PubChem CID 11609309) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide
PubChem CID11609309
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C14H14F2N2O2S/c1-9(2)12-4-3-5-14(17-12)18-21(19,20)13-8-10(15)6-7-11(13)16/h3-9H,1-2H3,(H,17,18)
InChIKeyYRWSMQGCEIXRPQ-UHFFFAOYSA-N
XLogP3.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide (CID 11609309) is 2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide is CC(C)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)n1.
What is the InChIKey of 2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide?
The InChIKey is YRWSMQGCEIXRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-9(2)12-4-3-5-14(17-12)18-21(19,20)13-8-10(15)6-7-11(13)16/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide?
2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(6-propan-2-yl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 11609309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).