N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

C19H23N3O4S — CID 13458385

IUPACN-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)ccc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C19H23N3O4S/c1-21-10-12-22(13-11-21)27(24,25)18-9-8-16(14-17(18)26-2)20-19(23)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyGFOUQUMOJXQXHR-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.88
Rot. Bonds5

About N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (PubChem CID 13458385) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
PubChem CID13458385
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)ccc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C19H23N3O4S/c1-21-10-12-22(13-11-21)27(24,25)18-9-8-16(14-17(18)26-2)20-19(23)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyGFOUQUMOJXQXHR-UHFFFAOYSA-N
XLogP1.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 102694638
N-(3,4-dimethylphenyl)-4-methoxy-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99966830
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 2986711
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99968232
4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 99968279
methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]benzoate
CID 17175247
3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 56922332
N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375353
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119327443
N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
CID 23969465
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (CID 13458385) is N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)ccc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is GFOUQUMOJXQXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-21-10-12-22(13-11-21)27(24,25)18-9-8-16(14-17(18)26-2)20-19(23)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,20,23).
What are the key properties of N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 13458385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).