4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride

C13H20ClN3O4S — CID 119576893

IUPAC4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C13H19N3O4S.ClH/c1-9-8-16(6-5-15-9)13(17)11-7-10(21(14,18)19)3-4-12(11)20-2;/h3-4,7,9,15H,5-6,8H2,1-2H3,(H2,14,18,19);1H
InChIKeyKTNUWCIXBHDYBU-UHFFFAOYSA-N
MW349.84 g/mol
LogP0.20
Rot. Bonds3

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

4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride (PubChem CID 119576893) has the molecular formula C13H20ClN3O4S and a molecular weight of 349.84 g/mol. Its IUPAC name is 4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
PubChem CID119576893
Molecular FormulaC13H20ClN3O4S
Molecular Weight349.84 g/mol
Exact Mass349.09
IUPAC Name4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C13H19N3O4S.ClH/c1-9-8-16(6-5-15-9)13(17)11-7-10(21(14,18)19)3-4-12(11)20-2;/h3-4,7,9,15H,5-6,8H2,1-2H3,(H2,14,18,19);1H
InChIKeyKTNUWCIXBHDYBU-UHFFFAOYSA-N
XLogP0.20
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426724
4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 120994866
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580362
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
CID 119247934
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
CID 120816046
(2-methyl-5-methylsulfonylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124591259
4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65386859
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-4-methoxybenzenesulfonamide
CID 120747556
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride (CID 119576893) is 4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride is COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCNC(C)C1.Cl.
What is the InChIKey of 4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The InChIKey is KTNUWCIXBHDYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S.ClH/c1-9-8-16(6-5-15-9)13(17)11-7-10(21(14,18)19)3-4-12(11)20-2;/h3-4,7,9,15H,5-6,8H2,1-2H3,(H2,14,18,19);1H.
What are the key properties of 4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride has a molecular weight of 349.84 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119576893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).