N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide

C23H18ClFN4O3S2 — CID 169145005

About N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide

N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide (PubChem CID 169145005) has the molecular formula C23H18ClFN4O3S2 and a molecular weight of 517.01 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide
• PubChem CID: 169145005
• Molecular Formula: C23H18ClFN4O3S2
• Molecular Weight: 517.01 g/mol
• Exact Mass: 516.05
• IUPAC Name: N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide
• SMILES: Cc1sc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cc1-c1ncccc1-c1cncc(F)c1
• InChI: InChI=1S/C23H18ClFN4O3S2/c1-13-20(22-19(4-3-5-27-22)14-6-16(25)12-26-11-14)10-21(33-13)23(30)28-17-7-15(24)8-18(9-17)29-34(2,31)32/h3-12,29H,1-2H3,(H,28,30)
• InChIKey: ZMBLAUSCKAOEQM-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 101.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.01
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide?

The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide (CID 169145005) is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide.

What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide?

The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cc1-c1ncccc1-c1cncc(F)c1.

What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide?

The InChIKey is ZMBLAUSCKAOEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O3S2/c1-13-20(22-19(4-3-5-27-22)14-6-16(25)12-26-11-14)10-21(33-13)23(30)28-17-7-15(24)8-18(9-17)29-34(2,31)32/h3-12,29H,1-2H3,(H,28,30).

What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide?

N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide has a molecular weight of 517.01 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 169145005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).