5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide

C19H23N3O3S — CID 6473087

IUPAC5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C19H23N3O3S/c1-15-8-9-17(26(24,25)22-11-4-2-3-5-12-22)13-18(15)19(23)21-16-7-6-10-20-14-16/h6-10,13-14H,2-5,11-12H2,1H3,(H,21,23)
InChIKeyUYOHZJOPZMJEFJ-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.21
Rot. Bonds4

About 5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide

5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide (PubChem CID 6473087) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
PubChem CID6473087
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C19H23N3O3S/c1-15-8-9-17(26(24,25)22-11-4-2-3-5-12-22)13-18(15)19(23)21-16-7-6-10-20-14-16/h6-10,13-14H,2-5,11-12H2,1H3,(H,21,23)
InChIKeyUYOHZJOPZMJEFJ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide
CID 26591861
5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848168
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 27906905
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
CID 1456875
5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 2993264
2-methyl-5-piperidin-1-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2344795

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide (CID 6473087) is 5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is UYOHZJOPZMJEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-8-9-17(26(24,25)22-11-4-2-3-5-12-22)13-18(15)19(23)21-16-7-6-10-20-14-16/h6-10,13-14H,2-5,11-12H2,1H3,(H,21,23).
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide?
5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 6473087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).