5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide

C16H12Cl2N4O3S — CID 11654482

IUPAC5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N4O3S/c17-10-1-4-12(5-2-10)26(24,25)22-14-6-3-11(18)9-13(14)16(23)20-15-7-8-19-21-15/h1-9,22H,(H2,19,20,21,23)
InChIKeyPLVLGOHPVNHEIY-UHFFFAOYSA-N
MW411.27 g/mol
LogP3.77
Rot. Bonds5

About 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide

5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 11654482) has the molecular formula C16H12Cl2N4O3S and a molecular weight of 411.27 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
PubChem CID11654482
Molecular FormulaC16H12Cl2N4O3S
Molecular Weight411.27 g/mol
Exact Mass410.00
IUPAC Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N4O3S/c17-10-1-4-12(5-2-10)26(24,25)22-14-6-3-11(18)9-13(14)16(23)20-15-7-8-19-21-15/h1-9,22H,(H2,19,20,21,23)
InChIKeyPLVLGOHPVNHEIY-UHFFFAOYSA-N
XLogP3.77
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.27
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide (CID 11654482) is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide is O=C(Nc1ccn[nH]1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is PLVLGOHPVNHEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O3S/c17-10-1-4-12(5-2-10)26(24,25)22-14-6-3-11(18)9-13(14)16(23)20-15-7-8-19-21-15/h1-9,22H,(H2,19,20,21,23).
What are the key properties of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 411.27 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 11654482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).