pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate

C19H16N2O4S — CID 71734760

IUPACpyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)OCc1cccnc1
InChIInChI=1S/C19H16N2O4S/c22-19(25-14-15-5-4-12-20-13-15)21-16-8-10-18(11-9-16)26(23,24)17-6-2-1-3-7-17/h1-13H,14H2,(H,21,22)
InChIKeyMUFKBLNBTXLHIY-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.66
Rot. Bonds5

About pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate

pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate (PubChem CID 71734760) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate
PubChem CID71734760
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Namepyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)OCc1cccnc1
InChIInChI=1S/C19H16N2O4S/c22-19(25-14-15-5-4-12-20-13-15)21-16-8-10-18(11-9-16)26(23,24)17-6-2-1-3-7-17/h1-13H,14H2,(H,21,22)
InChIKeyMUFKBLNBTXLHIY-UHFFFAOYSA-N
XLogP3.66
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate?
The IUPAC name of pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate (CID 71734760) is pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate?
The canonical SMILES for pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate is O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate?
The InChIKey is MUFKBLNBTXLHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-19(25-14-15-5-4-12-20-13-15)21-16-8-10-18(11-9-16)26(23,24)17-6-2-1-3-7-17/h1-13H,14H2,(H,21,22).
What are the key properties of pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate?
pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate has a molecular weight of 368.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate is sourced from PubChem (CID 71734760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).