methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate

C19H16F2N4O4S — CID 118249101

IUPACmethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1
InChIInChI=1S/C19H16F2N4O4S/c1-11-16(25-30(27,28)17-4-3-14(20)9-15(17)21)7-13(10-23-11)12-5-6-22-18(8-12)24-19(26)29-2/h3-10,25H,1-2H3,(H,22,24,26)
InChIKeyMEXROBLVOFGQOK-UHFFFAOYSA-N
MW434.42 g/mol
LogP3.71
Rot. Bonds5

About methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate

methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate (PubChem CID 118249101) has the molecular formula C19H16F2N4O4S and a molecular weight of 434.42 g/mol. Its IUPAC name is methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
PubChem CID118249101
Molecular FormulaC19H16F2N4O4S
Molecular Weight434.42 g/mol
Exact Mass434.09
IUPAC Namemethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1
InChIInChI=1S/C19H16F2N4O4S/c1-11-16(25-30(27,28)17-4-3-14(20)9-15(17)21)7-13(10-23-11)12-5-6-22-18(8-12)24-19(26)29-2/h3-10,25H,1-2H3,(H,22,24,26)
InChIKeyMEXROBLVOFGQOK-UHFFFAOYSA-N
XLogP3.71
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate (CID 118249101) is methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.
What is the InChIKey of methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
The InChIKey is MEXROBLVOFGQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O4S/c1-11-16(25-30(27,28)17-4-3-14(20)9-15(17)21)7-13(10-23-11)12-5-6-22-18(8-12)24-19(26)29-2/h3-10,25H,1-2H3,(H,22,24,26).
What are the key properties of methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate has a molecular weight of 434.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 118249101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).