N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

C19H23N3O4S — CID 2986711

IUPACN-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O4S/c1-21-10-12-22(13-11-21)27(24,25)16-8-9-18(26-2)17(14-16)20-19(23)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyGBOZPTUSQOQWIN-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.88
Rot. Bonds5

About N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (PubChem CID 2986711) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
PubChem CID2986711
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O4S/c1-21-10-12-22(13-11-21)27(24,25)16-8-9-18(26-2)17(14-16)20-19(23)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyGBOZPTUSQOQWIN-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

N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide
CID 9081738
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771385
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
CID 3665512
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
3-benzamido-4-methoxybenzenesulfonyl chloride
CID 43140030
N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 13458385
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-naphthalen-1-ylprop-2-enamide
CID 41483751
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (CID 2986711) is N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is GBOZPTUSQOQWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-21-10-12-22(13-11-21)27(24,25)16-8-9-18(26-2)17(14-16)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-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
N-[2-methoxy-5-(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-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 2986711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).