2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide

C24H17F2N3O2S2 — CID 90041870

IUPAC2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESCn1ccc2cc(-c3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc21
InChIInChI=1S/C24H17F2N3O2S2/c1-29-9-8-15-10-16(2-4-21(15)29)22-5-6-23(32-22)17-11-19(14-27-13-17)28-33(30,31)24-7-3-18(25)12-20(24)26/h2-14,28H,1H3
InChIKeyDFEFONIDNLOGET-UHFFFAOYSA-N
MW481.55 g/mol
LogP6.05
Rot. Bonds5

About 2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 90041870) has the molecular formula C24H17F2N3O2S2 and a molecular weight of 481.55 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID90041870
Molecular FormulaC24H17F2N3O2S2
Molecular Weight481.55 g/mol
Exact Mass481.07
IUPAC Name2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESCn1ccc2cc(-c3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc21
InChIInChI=1S/C24H17F2N3O2S2/c1-29-9-8-15-10-16(2-4-21(15)29)22-5-6-23(32-22)17-11-19(14-27-13-17)28-33(30,31)24-7-3-18(25)12-20(24)26/h2-14,28H,1H3
InChIKeyDFEFONIDNLOGET-UHFFFAOYSA-N
XLogP6.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide (CID 90041870) is 2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide is Cn1ccc2cc(-c3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc21.
What is the InChIKey of 2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is DFEFONIDNLOGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O2S2/c1-29-9-8-15-10-16(2-4-21(15)29)22-5-6-23(32-22)17-11-19(14-27-13-17)28-33(30,31)24-7-3-18(25)12-20(24)26/h2-14,28H,1H3.
What are the key properties of 2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 481.55 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-[5-(1-methylindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 90041870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).