4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide

C21H27N3O6S2 — CID 4849252

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C21H27N3O6S2/c1-14-10-15(2)13-24(12-14)32(28,29)18-7-4-16(5-8-18)21(25)23-17-6-9-19(30-3)20(11-17)31(22,26)27/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,23,25)(H2,22,26,27)
InChIKeyBKOXYEFHVVZDEK-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.26
Rot. Bonds6

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide (PubChem CID 4849252) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide
PubChem CID4849252
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C21H27N3O6S2/c1-14-10-15(2)13-24(12-14)32(28,29)18-7-4-16(5-8-18)21(25)23-17-6-9-19(30-3)20(11-17)31(22,26)27/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,23,25)(H2,22,26,27)
InChIKeyBKOXYEFHVVZDEK-UHFFFAOYSA-N
XLogP2.26
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxy-3-nitrobenzamide
CID 41080620
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[4-[4-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 124837249
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713922
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713920
N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 55450949
N-(1,3-benzodioxol-5-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2634707
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4850934
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 41209438
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methoxy-4-nitrophenyl)benzamide
CID 3635341

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide (CID 4849252) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide is COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)cc1S(N)(=O)=O.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide?
The InChIKey is BKOXYEFHVVZDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c1-14-10-15(2)13-24(12-14)32(28,29)18-7-4-16(5-8-18)21(25)23-17-6-9-19(30-3)20(11-17)31(22,26)27/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,23,25)(H2,22,26,27).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide has a molecular weight of 481.60 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 4849252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).