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

C19H23N3O4S — CID 26591861

IUPAC5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C19H23N3O4S/c1-26-18-9-8-16(27(24,25)22-11-4-2-3-5-12-22)13-17(18)19(23)21-15-7-6-10-20-14-15/h6-10,13-14H,2-5,11-12H2,1H3,(H,21,23)
InChIKeyCSIOESXNJQSMLU-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.91
Rot. Bonds5

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

5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide (PubChem CID 26591861) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide
PubChem CID26591861
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C19H23N3O4S/c1-26-18-9-8-16(27(24,25)22-11-4-2-3-5-12-22)13-17(18)19(23)21-15-7-6-10-20-14-15/h6-10,13-14H,2-5,11-12H2,1H3,(H,21,23)
InChIKeyCSIOESXNJQSMLU-UHFFFAOYSA-N
XLogP2.91
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 6473087
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
2-methoxy-5-morpholin-4-ylsulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43876086
N-(3-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methoxybenzamide
CID 26114551
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28591009
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
N-(2,6-dichlorophenyl)-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590971
2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 19257937
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
CID 1457049
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide (CID 26591861) is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide?
The InChIKey is CSIOESXNJQSMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-18-9-8-16(27(24,25)22-11-4-2-3-5-12-22)13-17(18)19(23)21-15-7-6-10-20-14-15/h6-10,13-14H,2-5,11-12H2,1H3,(H,21,23).
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide?
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide has a molecular weight of 389.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 26591861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).