3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide

C23H19ClN4O4S — CID 155535214

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(-n2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cn2)cc1
InChIInChI=1S/C23H19ClN4O4S/c1-32-21-9-7-20(8-10-21)28-15-19(14-25-28)26-23(29)16-3-2-4-18(13-16)27-33(30,31)22-11-5-17(24)6-12-22/h2-15,27H,1H3,(H,26,29)
InChIKeyUPMBLLCUBLPPBL-UHFFFAOYSA-N
MW482.95 g/mol
LogP4.59
Rot. Bonds7

About 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide

3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide (PubChem CID 155535214) has the molecular formula C23H19ClN4O4S and a molecular weight of 482.95 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
PubChem CID155535214
Molecular FormulaC23H19ClN4O4S
Molecular Weight482.95 g/mol
Exact Mass482.08
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(-n2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cn2)cc1
InChIInChI=1S/C23H19ClN4O4S/c1-32-21-9-7-20(8-10-21)28-15-19(14-25-28)26-23(29)16-3-2-4-18(13-16)27-33(30,31)22-11-5-17(24)6-12-22/h2-15,27H,1H3,(H,26,29)
InChIKeyUPMBLLCUBLPPBL-UHFFFAOYSA-N
XLogP4.59
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide (CID 155535214) is 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide is COc1ccc(-n2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cn2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The InChIKey is UPMBLLCUBLPPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4S/c1-32-21-9-7-20(8-10-21)28-15-19(14-25-28)26-23(29)16-3-2-4-18(13-16)27-33(30,31)22-11-5-17(24)6-12-22/h2-15,27H,1H3,(H,26,29).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide has a molecular weight of 482.95 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 155535214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).