2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride

C14H22ClN3O4S — CID 119979778

IUPAC2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)CC1.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-16-10-5-7-17(8-6-10)22(19,20)11-3-4-13(21-2)12(9-11)14(15)18;/h3-4,9-10,16H,5-8H2,1-2H3,(H2,15,18);1H
InChIKeyIANHBEYZFGWHMI-UHFFFAOYSA-N
MW363.87 g/mol
LogP0.59
Rot. Bonds5

About 2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride

2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride (PubChem CID 119979778) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
PubChem CID119979778
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Name2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)CC1.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-16-10-5-7-17(8-6-10)22(19,20)11-3-4-13(21-2)12(9-11)14(15)18;/h3-4,9-10,16H,5-8H2,1-2H3,(H2,15,18);1H
InChIKeyIANHBEYZFGWHMI-UHFFFAOYSA-N
XLogP0.59
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119980179
2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid
CID 146024578
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate
CID 120710099
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methoxybenzamide;hydrochloride
CID 119989115
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate
CID 146024645
5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 146024604
2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 146024506
3-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-methylbutanamide
CID 120501272
4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 119330409

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
The IUPAC name of 2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride (CID 119979778) is 2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride.
What is the SMILES notation for 2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
The canonical SMILES for 2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride is CNC1CCN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)CC1.Cl.
What is the InChIKey of 2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
The InChIKey is IANHBEYZFGWHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-16-10-5-7-17(8-6-10)22(19,20)11-3-4-13(21-2)12(9-11)14(15)18;/h3-4,9-10,16H,5-8H2,1-2H3,(H2,15,18);1H.
What are the key properties of 2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119979778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).