N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C19H15F2N5O2S2 — CID 141471209

IUPACN-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCc1ncc(-c2cc3c(C)nc(N)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H15F2N5O2S2/c1-9-13-7-16(29-18(13)25-19(22)24-9)11-5-15(10(2)23-8-11)26-30(27,28)17-4-3-12(20)6-14(17)21/h3-8,26H,1-2H3,(H2,22,24,25)
InChIKeyWJUJPSLJDDCZAM-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.03
Rot. Bonds4

About N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 141471209) has the molecular formula C19H15F2N5O2S2 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID141471209
Molecular FormulaC19H15F2N5O2S2
Molecular Weight447.49 g/mol
Exact Mass447.06
IUPAC NameN-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCc1ncc(-c2cc3c(C)nc(N)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H15F2N5O2S2/c1-9-13-7-16(29-18(13)25-19(22)24-9)11-5-15(10(2)23-8-11)26-30(27,28)17-4-3-12(20)6-14(17)21/h3-8,26H,1-2H3,(H2,22,24,25)
InChIKeyWJUJPSLJDDCZAM-UHFFFAOYSA-N
XLogP4.03
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide
CID 141471203
2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
CID 145087488
[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamoyl-methylideneoxidanium
CID 123927524
N-[5-[2-amino-4-methyl-8-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197556
N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118249308
2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 118249359
2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 71229040
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 137371140
2,4-difluoro-N-[2-methoxy-5-[4-(4-methoxypiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 162371676
N-[5-[2-(4-chloro-6-methylpyrimidin-5-yl)ethynyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 88919578
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 141471209) is N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide is Cc1ncc(-c2cc3c(C)nc(N)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is WJUJPSLJDDCZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2S2/c1-9-13-7-16(29-18(13)25-19(22)24-9)11-5-15(10(2)23-8-11)26-30(27,28)17-4-3-12(20)6-14(17)21/h3-8,26H,1-2H3,(H2,22,24,25).
What are the key properties of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 447.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 141471209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).