4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide

C27H25N5O6S2 — CID 59676755

IUPAC4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)nc1
InChIInChI=1S/C27H25N5O6S2/c1-17-7-14-25(29-16-17)31-27(34)22-13-12-20(32-39(2,35)36)15-23(22)30-26(33)19-10-8-18(9-11-19)21-5-3-4-6-24(21)40(28,37)38/h3-16,32H,1-2H3,(H,30,33)(H2,28,37,38)(H,29,31,34)
InChIKeyVSVFQJAINDKQJB-UHFFFAOYSA-N
MW579.66 g/mol
LogP3.58
Rot. Bonds8

About 4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide

4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide (PubChem CID 59676755) has the molecular formula C27H25N5O6S2 and a molecular weight of 579.66 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
PubChem CID59676755
Molecular FormulaC27H25N5O6S2
Molecular Weight579.66 g/mol
Exact Mass579.12
IUPAC Name4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)nc1
InChIInChI=1S/C27H25N5O6S2/c1-17-7-14-25(29-16-17)31-27(34)22-13-12-20(32-39(2,35)36)15-23(22)30-26(33)19-10-8-18(9-11-19)21-5-3-4-6-24(21)40(28,37)38/h3-16,32H,1-2H3,(H,30,33)(H2,28,37,38)(H,29,31,34)
InChIKeyVSVFQJAINDKQJB-UHFFFAOYSA-N
XLogP3.58
TPSA177.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.66
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-(5-bromo-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
CID 22596430
N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide
CID 10302828
4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane
CID 91087016
N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 16583790
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 35344467
4-(methanesulfonamido)-N-pyridin-2-ylbenzamide
CID 42113789
2-(3-carbamimidoylphenoxy)-4-(methanesulfonamido)-N-[4-(2-sulfamoylphenyl)phenyl]benzamide
CID 20747446
4-(ethylamino)-N-(5-methyl-2-pyridinyl)benzamide
CID 62172642
2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 160614519
4-[(4-fluorophenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 35025590
N'-(5-bromo-2-pyridinyl)-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enediamide
CID 73460739
4-methyl-N-[5-(2-methylanilino)-2-pyridinyl]benzamide
CID 113031308

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide (CID 59676755) is 4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide is Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)nc1.
What is the InChIKey of 4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide?
The InChIKey is VSVFQJAINDKQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O6S2/c1-17-7-14-25(29-16-17)31-27(34)22-13-12-20(32-39(2,35)36)15-23(22)30-26(33)19-10-8-18(9-11-19)21-5-3-4-6-24(21)40(28,37)38/h3-16,32H,1-2H3,(H,30,33)(H2,28,37,38)(H,29,31,34).
What are the key properties of 4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide?
4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide has a molecular weight of 579.66 g/mol, XLogP of 3.58, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide is sourced from PubChem (CID 59676755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).