2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C17H16Cl2N4O3S2 — CID 2805555

IUPAC2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C17H16Cl2N4O3S2/c1-9-15(10(2)23(3)21-9)20-17(24)11-6-4-5-7-12(11)22-28(25,26)13-8-14(18)27-16(13)19/h4-8,22H,1-3H3,(H,20,24)
InChIKeyNVCGWLCECLMZCC-UHFFFAOYSA-N
MW459.38 g/mol
LogP4.46
Rot. Bonds5

About 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 2805555) has the molecular formula C17H16Cl2N4O3S2 and a molecular weight of 459.38 g/mol. Its IUPAC name is 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID2805555
Molecular FormulaC17H16Cl2N4O3S2
Molecular Weight459.38 g/mol
Exact Mass458.00
IUPAC Name2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C17H16Cl2N4O3S2/c1-9-15(10(2)23(3)21-9)20-17(24)11-6-4-5-7-12(11)22-28(25,26)13-8-14(18)27-16(13)19/h4-8,22H,1-3H3,(H,20,24)
InChIKeyNVCGWLCECLMZCC-UHFFFAOYSA-N
XLogP4.46
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 2805555) is 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is Cc1nn(C)c(C)c1NC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is NVCGWLCECLMZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3S2/c1-9-15(10(2)23(3)21-9)20-17(24)11-6-4-5-7-12(11)22-28(25,26)13-8-14(18)27-16(13)19/h4-8,22H,1-3H3,(H,20,24).
What are the key properties of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 459.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 2805555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).