3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

C19H23N3O3S — CID 78838796

IUPAC3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)n1
InChIInChI=1S/C19H23N3O3S/c1-13-11-14(2)20-15(3)18(13)21-19(23)16-7-6-8-17(12-16)26(24,25)22-9-4-5-10-22/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,23)
InChIKeyVHVVIQCPMWVFSX-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.04
Rot. Bonds4

About 3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (PubChem CID 78838796) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
PubChem CID78838796
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)n1
InChIInChI=1S/C19H23N3O3S/c1-13-11-14(2)20-15(3)18(13)21-19(23)16-7-6-8-17(12-16)26(24,25)22-9-4-5-10-22/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,23)
InChIKeyVHVVIQCPMWVFSX-UHFFFAOYSA-N
XLogP3.04
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 86929541
3-(azepan-1-ylsulfonyl)-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 26200446
3-(diethylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838749
N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1087733
N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2382518
3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 134052502
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 120569015
3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9119993
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-(azepan-1-ylsulfonyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043422
3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1101754

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The IUPAC name of 3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (CID 78838796) is 3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)n1.
What is the InChIKey of 3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The InChIKey is VHVVIQCPMWVFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-11-14(2)20-15(3)18(13)21-19(23)16-7-6-8-17(12-16)26(24,25)22-9-4-5-10-22/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,23).
What are the key properties of 3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide has a molecular weight of 373.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is sourced from PubChem (CID 78838796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).