4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride

C16H25ClN4O4S — CID 120994866

IUPAC4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C16H24N4O4S.ClH/c1-24-15-3-2-13(25(17,22)23)10-14(15)16(21)20-7-4-12(11-20)19-8-5-18-6-9-19;/h2-3,10,12,18H,4-9,11H2,1H3,(H2,17,22,23);1H
InChIKeyFCNBJFKKHPIYGL-UHFFFAOYSA-N
MW404.92 g/mol
LogP-0.12
Rot. Bonds4

About 4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride

4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride (PubChem CID 120994866) has the molecular formula C16H25ClN4O4S and a molecular weight of 404.92 g/mol. Its IUPAC name is 4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
PubChem CID120994866
Molecular FormulaC16H25ClN4O4S
Molecular Weight404.92 g/mol
Exact Mass404.13
IUPAC Name4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C16H24N4O4S.ClH/c1-24-15-3-2-13(25(17,22)23)10-14(15)16(21)20-7-4-12(11-20)19-8-5-18-6-9-19;/h2-3,10,12,18H,4-9,11H2,1H3,(H2,17,22,23);1H
InChIKeyFCNBJFKKHPIYGL-UHFFFAOYSA-N
XLogP-0.12
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576893
(3-piperazin-1-ylpyrrolidin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 120997118
(4,5-dichloro-2-methoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996486
(4-bromo-2-methoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994588
(2,3-dimethyl-5-methylsulfonylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997159
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
CID 120816046
4-methoxy-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]benzenesulfonamide
CID 70757896
4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 55431976
(3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995788
[4-(2-methoxyethylsulfonyl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996500
4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65386859
(2-bromophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995656

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride (CID 120994866) is 4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride is COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(N2CCNCC2)C1.Cl.
What is the InChIKey of 4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride?
The InChIKey is FCNBJFKKHPIYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S.ClH/c1-24-15-3-2-13(25(17,22)23)10-14(15)16(21)20-7-4-12(11-20)19-8-5-18-6-9-19;/h2-3,10,12,18H,4-9,11H2,1H3,(H2,17,22,23);1H.
What are the key properties of 4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride?
4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride has a molecular weight of 404.92 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120994866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).