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

C20H18F2N4O3S — CID 5330830

IUPAC4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
InChIInChI=1S/C20H18F2N4O3S/c1-26(2)30(28,29)13-8-6-12(7-9-13)24-17-11-10-14(20(23)25-17)19(27)18-15(21)4-3-5-16(18)22/h3-11H,1-2H3,(H3,23,24,25)
InChIKeyWFBVMRMNIMMRCE-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.17
Rot. Bonds6

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

4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 5330830) has the molecular formula C20H18F2N4O3S and a molecular weight of 432.45 g/mol. Its IUPAC name is 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID5330830
Molecular FormulaC20H18F2N4O3S
Molecular Weight432.45 g/mol
Exact Mass432.11
IUPAC Name4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
InChIInChI=1S/C20H18F2N4O3S/c1-26(2)30(28,29)13-8-6-12(7-9-13)24-17-11-10-14(20(23)25-17)19(27)18-15(21)4-3-5-16(18)22/h3-11H,1-2H3,(H3,23,24,25)
InChIKeyWFBVMRMNIMMRCE-UHFFFAOYSA-N
XLogP3.17
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
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]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide (CID 5330830) is 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1.
What is the InChIKey of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is WFBVMRMNIMMRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3S/c1-26(2)30(28,29)13-8-6-12(7-9-13)24-17-11-10-14(20(23)25-17)19(27)18-15(21)4-3-5-16(18)22/h3-11H,1-2H3,(H3,23,24,25).
What are the key properties of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide?
4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 432.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 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]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 5330830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).