4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide

C19H17N3O5S2 — CID 59672870

IUPAC4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide
SMILESCS(=O)(=O)c1cccnc1-c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H17N3O5S2/c1-28(24,25)17-3-2-12-21-18(17)13-4-6-14(7-5-13)19(23)22-15-8-10-16(11-9-15)29(20,26)27/h2-12H,1H3,(H,22,23)(H2,20,26,27)
InChIKeyWJFNQEXJOLNCHG-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.05
Rot. Bonds5

About 4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide

4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide (PubChem CID 59672870) has the molecular formula C19H17N3O5S2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide
PubChem CID59672870
Molecular FormulaC19H17N3O5S2
Molecular Weight431.50 g/mol
Exact Mass431.06
IUPAC Name4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide
SMILESCS(=O)(=O)c1cccnc1-c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H17N3O5S2/c1-28(24,25)17-3-2-12-21-18(17)13-4-6-14(7-5-13)19(23)22-15-8-10-16(11-9-15)29(20,26)27/h2-12H,1H3,(H,22,23)(H2,20,26,27)
InChIKeyWJFNQEXJOLNCHG-UHFFFAOYSA-N
XLogP2.05
TPSA136.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
4-(3-chloro-2-pyridinyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 59673279
N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide
CID 58639464
4-(3-chloro-2-pyridinyl)-N-(4-phenylphenyl)benzamide
CID 11234504
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide
CID 59673528
4-[3-[bis(methylsulfonyl)amino]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 58639617
4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide
CID 59673533
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
CID 2322744
4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
CID 26718752
4-heptoxy-N-(4-sulfamoylphenyl)benzamide
CID 4950602

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide (CID 59672870) is 4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide is CS(=O)(=O)c1cccnc1-c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is WJFNQEXJOLNCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S2/c1-28(24,25)17-3-2-12-21-18(17)13-4-6-14(7-5-13)19(23)22-15-8-10-16(11-9-15)29(20,26)27/h2-12H,1H3,(H,22,23)(H2,20,26,27).
What are the key properties of 4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide?
4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 431.50 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 59672870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).