2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide

C25H21N3O3S — CID 70789372

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C25H21N3O3S/c1-18-11-14-21(15-12-18)32(30,31)28-24-10-6-5-9-22(24)25(29)27-20-13-16-23(26-17-20)19-7-3-2-4-8-19/h2-17,28H,1H3,(H,27,29)
InChIKeyJZPSWWRMKQIPRS-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.11
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide

2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide (PubChem CID 70789372) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide
PubChem CID70789372
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C25H21N3O3S/c1-18-11-14-21(15-12-18)32(30,31)28-24-10-6-5-9-22(24)25(29)27-20-13-16-23(26-17-20)19-7-3-2-4-8-19/h2-17,28H,1H3,(H,27,29)
InChIKeyJZPSWWRMKQIPRS-UHFFFAOYSA-N
XLogP5.11
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-oxazol-2-yl)benzamide
CID 70789374
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 25040510
2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45006642
N-[4-(difluoromethoxy)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 4785775
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789421
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 3268360
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide (CID 70789372) is 2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(-c3ccccc3)nc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide?
The InChIKey is JZPSWWRMKQIPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-18-11-14-21(15-12-18)32(30,31)28-24-10-6-5-9-22(24)25(29)27-20-13-16-23(26-17-20)19-7-3-2-4-8-19/h2-17,28H,1H3,(H,27,29).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide?
2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide has a molecular weight of 443.53 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide is sourced from PubChem (CID 70789372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).