4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide

C18H19ClN4O3S2 — CID 58561250

IUPAC4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H19ClN4O3S2/c1-11-17(12(2)23(3)21-11)22-28(25,26)16-9-8-15(27-16)10-20-18(24)13-4-6-14(19)7-5-13/h4-9,22H,10H2,1-3H3,(H,20,24)
InChIKeyFJHLEHVICAEIPX-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.48
Rot. Bonds6

About 4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide

4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide (PubChem CID 58561250) has the molecular formula C18H19ClN4O3S2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide
PubChem CID58561250
Molecular FormulaC18H19ClN4O3S2
Molecular Weight438.96 g/mol
Exact Mass438.06
IUPAC Name4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H19ClN4O3S2/c1-11-17(12(2)23(3)21-11)22-28(25,26)16-9-8-15(27-16)10-20-18(24)13-4-6-14(19)7-5-13/h4-9,22H,10H2,1-3H3,(H,20,24)
InChIKeyFJHLEHVICAEIPX-UHFFFAOYSA-N
XLogP3.48
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide (CID 58561250) is 4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is FJHLEHVICAEIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S2/c1-11-17(12(2)23(3)21-11)22-28(25,26)16-9-8-15(27-16)10-20-18(24)13-4-6-14(19)7-5-13/h4-9,22H,10H2,1-3H3,(H,20,24).
What are the key properties of 4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide?
4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 438.96 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 58561250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).