N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide

C17H13ClFN3O3S — CID 71916672

IUPACN-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide
SMILESO=C(NS(=O)(=O)c1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1F
InChIInChI=1S/C17H13ClFN3O3S/c18-15-8-4-7-14(16(15)19)17(23)21-26(24,25)13-9-20-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,21,23)
InChIKeyXVGFTRRGTXBCGS-UHFFFAOYSA-N
MW393.83 g/mol
LogP2.84
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide

N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide (PubChem CID 71916672) has the molecular formula C17H13ClFN3O3S and a molecular weight of 393.83 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide
PubChem CID71916672
Molecular FormulaC17H13ClFN3O3S
Molecular Weight393.83 g/mol
Exact Mass393.04
IUPAC NameN-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide
SMILESO=C(NS(=O)(=O)c1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1F
InChIInChI=1S/C17H13ClFN3O3S/c18-15-8-4-7-14(16(15)19)17(23)21-26(24,25)13-9-20-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,21,23)
InChIKeyXVGFTRRGTXBCGS-UHFFFAOYSA-N
XLogP2.84
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide (CID 71916672) is N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide is O=C(NS(=O)(=O)c1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1F.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide?
The InChIKey is XVGFTRRGTXBCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3S/c18-15-8-4-7-14(16(15)19)17(23)21-26(24,25)13-9-20-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,21,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide?
N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide has a molecular weight of 393.83 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide is sourced from PubChem (CID 71916672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).