2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide

C18H16Cl2N4O3S — CID 31850188

IUPAC2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)n1
InChIInChI=1S/C18H16Cl2N4O3S/c1-24-9-8-17(22-24)21-18(25)10-12-2-4-13(5-3-12)23-28(26,27)14-6-7-15(19)16(20)11-14/h2-9,11,23H,10H2,1H3,(H,21,22,25)
InChIKeyNIQDZVLEZBUJNQ-UHFFFAOYSA-N
MW439.32 g/mol
LogP3.71
Rot. Bonds6

About 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide

2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 31850188) has the molecular formula C18H16Cl2N4O3S and a molecular weight of 439.32 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID31850188
Molecular FormulaC18H16Cl2N4O3S
Molecular Weight439.32 g/mol
Exact Mass438.03
IUPAC Name2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)n1
InChIInChI=1S/C18H16Cl2N4O3S/c1-24-9-8-17(22-24)21-18(25)10-12-2-4-13(5-3-12)23-28(26,27)14-6-7-15(19)16(20)11-14/h2-9,11,23H,10H2,1H3,(H,21,22,25)
InChIKeyNIQDZVLEZBUJNQ-UHFFFAOYSA-N
XLogP3.71
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide (CID 31850188) is 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)n1.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is NIQDZVLEZBUJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O3S/c1-24-9-8-17(22-24)21-18(25)10-12-2-4-13(5-3-12)23-28(26,27)14-6-7-15(19)16(20)11-14/h2-9,11,23H,10H2,1H3,(H,21,22,25).
What are the key properties of 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 439.32 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 31850188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).