5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide

C22H24ClN5O4S — CID 55337182

IUPAC5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C22H24ClN5O4S/c1-32-21-9-7-17(33(30,31)27-10-4-2-3-5-11-27)13-18(21)22(29)26-19-12-16(23)6-8-20(19)28-15-24-14-25-28/h6-9,12-15H,2-5,10-11H2,1H3,(H,26,29)
InChIKeyWMQMNSXYUOEYRC-UHFFFAOYSA-N
MW489.99 g/mol
LogP3.75
Rot. Bonds6

About 5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide

5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide (PubChem CID 55337182) has the molecular formula C22H24ClN5O4S and a molecular weight of 489.99 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide
PubChem CID55337182
Molecular FormulaC22H24ClN5O4S
Molecular Weight489.99 g/mol
Exact Mass489.12
IUPAC Name5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C22H24ClN5O4S/c1-32-21-9-7-17(33(30,31)27-10-4-2-3-5-11-27)13-18(21)22(29)26-19-12-16(23)6-8-20(19)28-15-24-14-25-28/h6-9,12-15H,2-5,10-11H2,1H3,(H,26,29)
InChIKeyWMQMNSXYUOEYRC-UHFFFAOYSA-N
XLogP3.75
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.99
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide with MolForge

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 24819914
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 4781950
2-bromo-5-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573617
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
N-(2,6-dichlorophenyl)-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590971
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28591009
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
N-[5-bromo-2-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 60608764

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide (CID 55337182) is 5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide?
The InChIKey is WMQMNSXYUOEYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O4S/c1-32-21-9-7-17(33(30,31)27-10-4-2-3-5-11-27)13-18(21)22(29)26-19-12-16(23)6-8-20(19)28-15-24-14-25-28/h6-9,12-15H,2-5,10-11H2,1H3,(H,26,29).
What are the key properties of 5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide?
5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide has a molecular weight of 489.99 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 55337182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).