phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate

C15H15N3O5S — CID 14371344

IUPACphenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate
SMILESCN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)Oc1ccccc1
InChIInChI=1S/C15H15N3O5S/c1-18(2)14(19)12-9-6-10-16-13(12)24(21,22)17-15(20)23-11-7-4-3-5-8-11/h3-10H,1-2H3,(H,17,20)
InChIKeyNHNQLTZFUJPTCB-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.26
Rot. Bonds4

About phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate

phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate (PubChem CID 14371344) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate.

Molecular Properties

Compound Namephenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate
PubChem CID14371344
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Namephenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate
SMILESCN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)Oc1ccccc1
InChIInChI=1S/C15H15N3O5S/c1-18(2)14(19)12-9-6-10-16-13(12)24(21,22)17-15(20)23-11-7-4-3-5-8-11/h3-10H,1-2H3,(H,17,20)
InChIKeyNHNQLTZFUJPTCB-UHFFFAOYSA-N
XLogP1.26
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate?
The IUPAC name of phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate (CID 14371344) is phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate.
What is the SMILES notation for phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate?
The canonical SMILES for phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate is CN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate?
The InChIKey is NHNQLTZFUJPTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-18(2)14(19)12-9-6-10-16-13(12)24(21,22)17-15(20)23-11-7-4-3-5-8-11/h3-10H,1-2H3,(H,17,20).
What are the key properties of phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate?
phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate has a molecular weight of 349.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate is sourced from PubChem (CID 14371344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).