3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide

C16H12Cl2N4O3S — CID 47835676

IUPAC3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H12Cl2N4O3S/c17-13-5-4-12(9-14(13)18)26(24,25)22-11-3-1-2-10(8-11)16(23)20-15-6-7-19-21-15/h1-9,22H,(H2,19,20,21,23)
InChIKeyDFYYAKMKVVPIHT-UHFFFAOYSA-N
MW411.27 g/mol
LogP3.77
Rot. Bonds5

About 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide

3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 47835676) has the molecular formula C16H12Cl2N4O3S and a molecular weight of 411.27 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
PubChem CID47835676
Molecular FormulaC16H12Cl2N4O3S
Molecular Weight411.27 g/mol
Exact Mass410.00
IUPAC Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H12Cl2N4O3S/c17-13-5-4-12(9-14(13)18)26(24,25)22-11-3-1-2-10(8-11)16(23)20-15-6-7-19-21-15/h1-9,22H,(H2,19,20,21,23)
InChIKeyDFYYAKMKVVPIHT-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 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide (CID 47835676) is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide is O=C(Nc1ccn[nH]1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is DFYYAKMKVVPIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O3S/c17-13-5-4-12(9-14(13)18)26(24,25)22-11-3-1-2-10(8-11)16(23)20-15-6-7-19-21-15/h1-9,22H,(H2,19,20,21,23).
What are the key properties of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
3-[(3,4-dichlorophenyl)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 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 47835676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).