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

C18H13ClFN5O2S2 — CID 141471201

IUPACN-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCc1nc(N)nc2sc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc12
InChIInChI=1S/C18H13ClFN5O2S2/c1-9-13-7-15(28-17(13)24-18(21)23-9)10-6-14(16(19)22-8-10)25-29(26,27)12-4-2-11(20)3-5-12/h2-8,25H,1H3,(H2,21,23,24)
InChIKeyUBCWTPNRACWDAI-UHFFFAOYSA-N
MW449.92 g/mol
LogP4.24
Rot. Bonds4

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

N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 141471201) has the molecular formula C18H13ClFN5O2S2 and a molecular weight of 449.92 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID141471201
Molecular FormulaC18H13ClFN5O2S2
Molecular Weight449.92 g/mol
Exact Mass449.02
IUPAC NameN-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCc1nc(N)nc2sc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc12
InChIInChI=1S/C18H13ClFN5O2S2/c1-9-13-7-15(28-17(13)24-18(21)23-9)10-6-14(16(19)22-8-10)25-29(26,27)12-4-2-11(20)3-5-12/h2-8,25H,1H3,(H2,21,23,24)
InChIKeyUBCWTPNRACWDAI-UHFFFAOYSA-N
XLogP4.24
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
N-[2-chloro-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 122178124
N-[2-chloro-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 122178125
5-chloro-N-[2-chloro-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]thiophene-2-sulfonamide
CID 122178126
6-Benzyl-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-ylamine
CID 45274324
N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 56682067
2,4-difluoro-N-[2-methyl-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178123
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 141471202
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 141471209
N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-5-chloro-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 156441692
6-Benzyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 71603088
2-[(3-Chlorophenyl)sulfonylmethyl]-4-(3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720098

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 141471201) is N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide is Cc1nc(N)nc2sc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc12.
What is the InChIKey of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is UBCWTPNRACWDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O2S2/c1-9-13-7-15(28-17(13)24-18(21)23-9)10-6-14(16(19)22-8-10)25-29(26,27)12-4-2-11(20)3-5-12/h2-8,25H,1H3,(H2,21,23,24).
What are the key properties of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 449.92 g/mol, XLogP of 4.24, 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-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 141471201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).