5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride

C14H22ClN3O4S — CID 154907802

IUPAC5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCNCC2)ccc1OC.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-15-14(18)12-10-11(4-5-13(12)21-2)22(19,20)17-8-3-6-16-7-9-17;/h4-5,10,16H,3,6-9H2,1-2H3,(H,15,18);1H
InChIKeyKIDWVGHARQLSIT-UHFFFAOYSA-N
MW363.87 g/mol
LogP0.46
Rot. Bonds4

About 5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride

5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride (PubChem CID 154907802) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is 5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride
PubChem CID154907802
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Name5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCNCC2)ccc1OC.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-15-14(18)12-10-11(4-5-13(12)21-2)22(19,20)17-8-3-6-16-7-9-17;/h4-5,10,16H,3,6-9H2,1-2H3,(H,15,18);1H
InChIKeyKIDWVGHARQLSIT-UHFFFAOYSA-N
XLogP0.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450981
5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide
CID 6471850
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
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119430958
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
N-(2,6-dichlorophenyl)-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590971
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119430959
2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride?
The IUPAC name of 5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride (CID 154907802) is 5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride?
The canonical SMILES for 5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride is CNC(=O)c1cc(S(=O)(=O)N2CCCNCC2)ccc1OC.Cl.
What is the InChIKey of 5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride?
The InChIKey is KIDWVGHARQLSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-15-14(18)12-10-11(4-5-13(12)21-2)22(19,20)17-8-3-6-16-7-9-17;/h4-5,10,16H,3,6-9H2,1-2H3,(H,15,18);1H.
What are the key properties of 5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride?
5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 154907802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).