2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride

C15H24ClN3O4S — CID 119491799

IUPAC2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)C1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-16-12-5-4-8-18(10-12)15(19)11-6-7-13(22-3)14(9-11)23(20,21)17-2;/h6-7,9,12,16-17H,4-5,8,10H2,1-3H3;1H
InChIKeyTZXPWHANLMNMAK-UHFFFAOYSA-N
MW377.89 g/mol
LogP0.85
Rot. Bonds5

About 2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride

2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride (PubChem CID 119491799) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
PubChem CID119491799
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC Name2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)C1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-16-12-5-4-8-18(10-12)15(19)11-6-7-13(22-3)14(9-11)23(20,21)17-2;/h6-7,9,12,16-17H,4-5,8,10H2,1-3H3;1H
InChIKeyTZXPWHANLMNMAK-UHFFFAOYSA-N
XLogP0.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 154750779
(3S)-1-[4-methoxy-3-(methylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125118224
[4-(difluoromethoxy)-3-methoxyphenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493318
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488249
(3-methoxy-4-prop-2-enoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119492614
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide
CID 119488714
4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239861
(3,5-dimethoxy-4-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493630
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119468592
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 119492705
5-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 55685294

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride (CID 119491799) is 2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride is CNC1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)C1.Cl.
What is the InChIKey of 2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The InChIKey is TZXPWHANLMNMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-16-12-5-4-8-18(10-12)15(19)11-6-7-13(22-3)14(9-11)23(20,21)17-2;/h6-7,9,12,16-17H,4-5,8,10H2,1-3H3;1H.
What are the key properties of 2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119491799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).