2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide

C18H14ClF2N3O3S2 — CID 16827147

IUPAC2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCc1c(F)cccc1F
InChIInChI=1S/C18H14ClF2N3O3S2/c19-11-4-6-13(7-5-11)29(26,27)24-18-23-12(10-28-18)8-17(25)22-9-14-15(20)2-1-3-16(14)21/h1-7,10H,8-9H2,(H,22,25)(H,23,24)
InChIKeyOUMFMOBATQDYHC-UHFFFAOYSA-N
MW457.91 g/mol
LogP3.73
Rot. Bonds7

About 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide

2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide (PubChem CID 16827147) has the molecular formula C18H14ClF2N3O3S2 and a molecular weight of 457.91 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide
PubChem CID16827147
Molecular FormulaC18H14ClF2N3O3S2
Molecular Weight457.91 g/mol
Exact Mass457.01
IUPAC Name2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCc1c(F)cccc1F
InChIInChI=1S/C18H14ClF2N3O3S2/c19-11-4-6-13(7-5-11)29(26,27)24-18-23-12(10-28-18)8-17(25)22-9-14-15(20)2-1-3-16(14)21/h1-7,10H,8-9H2,(H,22,25)(H,23,24)
InChIKeyOUMFMOBATQDYHC-UHFFFAOYSA-N
XLogP3.73
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide (CID 16827147) is 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide is O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCc1c(F)cccc1F.
What is the InChIKey of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide?
The InChIKey is OUMFMOBATQDYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O3S2/c19-11-4-6-13(7-5-11)29(26,27)24-18-23-12(10-28-18)8-17(25)22-9-14-15(20)2-1-3-16(14)21/h1-7,10H,8-9H2,(H,22,25)(H,23,24).
What are the key properties of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide?
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide has a molecular weight of 457.91 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 16827147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).