4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide

C19H17N3O4S — CID 2241461

IUPAC4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccncc3)cc2)c1
InChIInChI=1S/C19H17N3O4S/c1-26-17-3-2-4-18(13-17)27(24,25)22-16-7-5-14(6-8-16)19(23)21-15-9-11-20-12-10-15/h2-13,22H,1H3,(H,20,21,23)
InChIKeyPEWOJWNOBFIIGO-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.14
Rot. Bonds6

About 4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide

4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide (PubChem CID 2241461) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
PubChem CID2241461
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccncc3)cc2)c1
InChIInChI=1S/C19H17N3O4S/c1-26-17-3-2-4-18(13-17)27(24,25)22-16-7-5-14(6-8-16)19(23)21-15-9-11-20-12-10-15/h2-13,22H,1H3,(H,20,21,23)
InChIKeyPEWOJWNOBFIIGO-UHFFFAOYSA-N
XLogP3.14
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide (CID 2241461) is 4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide is COc1cccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccncc3)cc2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
The InChIKey is PEWOJWNOBFIIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-26-17-3-2-4-18(13-17)27(24,25)22-16-7-5-14(6-8-16)19(23)21-15-9-11-20-12-10-15/h2-13,22H,1H3,(H,20,21,23).
What are the key properties of 4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide has a molecular weight of 383.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 2241461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).