4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide

C18H14F2N4O3S — CID 5330832

IUPAC4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C18H14F2N4O3S/c19-13-2-1-3-14(20)16(13)17(25)12-8-9-15(24-18(12)21)23-10-4-6-11(7-5-10)28(22,26)27/h1-9H,(H3,21,23,24)(H2,22,26,27)
InChIKeyCCHCEDJEDOOBOI-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.56
Rot. Bonds5

About 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide

4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide (PubChem CID 5330832) has the molecular formula C18H14F2N4O3S and a molecular weight of 404.40 g/mol. Its IUPAC name is 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide
PubChem CID5330832
Molecular FormulaC18H14F2N4O3S
Molecular Weight404.40 g/mol
Exact Mass404.08
IUPAC Name4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C18H14F2N4O3S/c19-13-2-1-3-14(20)16(13)17(25)12-8-9-15(24-18(12)21)23-10-4-6-11(7-5-10)28(22,26)27/h1-9H,(H3,21,23,24)(H2,22,26,27)
InChIKeyCCHCEDJEDOOBOI-UHFFFAOYSA-N
XLogP2.56
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide (CID 5330832) is 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide is Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)ccc1C(=O)c1c(F)cccc1F.
What is the InChIKey of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide?
The InChIKey is CCHCEDJEDOOBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O3S/c19-13-2-1-3-14(20)16(13)17(25)12-8-9-15(24-18(12)21)23-10-4-6-11(7-5-10)28(22,26)27/h1-9H,(H3,21,23,24)(H2,22,26,27).
What are the key properties of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide?
4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide has a molecular weight of 404.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzenesulfonamide is sourced from PubChem (CID 5330832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).