4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide

C19H16ClN3O3S — CID 59053520

IUPAC4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClN3O3S/c20-16-7-9-18(10-8-16)27(25,26)22-12-14-3-5-15(6-4-14)19(24)23-17-2-1-11-21-13-17/h1-11,13,22H,12H2,(H,23,24)
InChIKeyCSKIVKAABHWYKF-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.47
Rot. Bonds6

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

4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide (PubChem CID 59053520) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
PubChem CID59053520
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClN3O3S/c20-16-7-9-18(10-8-16)27(25,26)22-12-14-3-5-15(6-4-14)19(24)23-17-2-1-11-21-13-17/h1-11,13,22H,12H2,(H,23,24)
InChIKeyCSKIVKAABHWYKF-UHFFFAOYSA-N
XLogP3.47
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide (CID 59053520) is 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The InChIKey is CSKIVKAABHWYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-16-7-9-18(10-8-16)27(25,26)22-12-14-3-5-15(6-4-14)19(24)23-17-2-1-11-21-13-17/h1-11,13,22H,12H2,(H,23,24).
What are the key properties of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide has a molecular weight of 401.88 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 59053520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).