[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid

C19H13ClF2N2O4S — CID 23114809

IUPAC[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H13ClF2N2O4S/c20-11-4-7-13(8-5-11)29(27,28)18(14-10-12(21)6-9-15(14)22)16-2-1-3-17(23-16)24-19(25)26/h1-10,18H,(H,23,24)(H,25,26)
InChIKeyXCLQDILAYALDBP-UHFFFAOYSA-N
MW438.84 g/mol
LogP4.67
Rot. Bonds5

About [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid

[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid (PubChem CID 23114809) has the molecular formula C19H13ClF2N2O4S and a molecular weight of 438.84 g/mol. Its IUPAC name is [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid
PubChem CID23114809
Molecular FormulaC19H13ClF2N2O4S
Molecular Weight438.84 g/mol
Exact Mass438.03
IUPAC Name[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H13ClF2N2O4S/c20-11-4-7-13(8-5-11)29(27,28)18(14-10-12(21)6-9-15(14)22)16-2-1-3-17(23-16)24-19(25)26/h1-10,18H,(H,23,24)(H,25,26)
InChIKeyXCLQDILAYALDBP-UHFFFAOYSA-N
XLogP4.67
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid?
The IUPAC name of [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid (CID 23114809) is [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid is O=C(O)Nc1cccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid?
The InChIKey is XCLQDILAYALDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O4S/c20-11-4-7-13(8-5-11)29(27,28)18(14-10-12(21)6-9-15(14)22)16-2-1-3-17(23-16)24-19(25)26/h1-10,18H,(H,23,24)(H,25,26).
What are the key properties of [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid?
[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid has a molecular weight of 438.84 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 23114809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).