3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide

C17H22N4O4S — CID 47028116

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cnn(C)c3)c2)CC(C)O1
InChIInChI=1S/C17H22N4O4S/c1-12-9-21(10-13(2)25-12)26(23,24)16-6-4-5-14(7-16)17(22)19-15-8-18-20(3)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,19,22)
InChIKeyVRKDNLQULQSYBZ-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.47
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 47028116) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID47028116
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cnn(C)c3)c2)CC(C)O1
InChIInChI=1S/C17H22N4O4S/c1-12-9-21(10-13(2)25-12)26(23,24)16-6-4-5-14(7-16)17(22)19-15-8-18-20(3)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,19,22)
InChIKeyVRKDNLQULQSYBZ-UHFFFAOYSA-N
XLogP1.47
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide (CID 47028116) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cnn(C)c3)c2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is VRKDNLQULQSYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-12-9-21(10-13(2)25-12)26(23,24)16-6-4-5-14(7-16)17(22)19-15-8-18-20(3)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,19,22).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 378.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 47028116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).