3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide

C19H18Cl2N4O3S — CID 57395295

IUPAC3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2cccc(C(N)=O)c2)cc1Cl
InChIInChI=1S/C19H18Cl2N4O3S/c1-10-17(11(2)25(3)23-10)24-29(27,28)18-15(20)8-14(9-16(18)21)12-5-4-6-13(7-12)19(22)26/h4-9,24H,1-3H3,(H2,22,26)
InChIKeyOGXPGKYZKXEGPO-UHFFFAOYSA-N
MW453.35 g/mol
LogP3.91
Rot. Bonds5

About 3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide

3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide (PubChem CID 57395295) has the molecular formula C19H18Cl2N4O3S and a molecular weight of 453.35 g/mol. Its IUPAC name is 3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide
PubChem CID57395295
Molecular FormulaC19H18Cl2N4O3S
Molecular Weight453.35 g/mol
Exact Mass452.05
IUPAC Name3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2cccc(C(N)=O)c2)cc1Cl
InChIInChI=1S/C19H18Cl2N4O3S/c1-10-17(11(2)25(3)23-10)24-29(27,28)18-15(20)8-14(9-16(18)21)12-5-4-6-13(7-12)19(22)26/h4-9,24H,1-3H3,(H2,22,26)
InChIKeyOGXPGKYZKXEGPO-UHFFFAOYSA-N
XLogP3.91
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Dichloro-3'-[(Diethylamino)methyl]-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)biphenyl-4-Sulfonamide
CID 54669606
US9156811, Ddd88558
CID 57402327
US9156811, Ddd86470
CID 58561161
US9156811, Ddd85644
CID 57393584
US9156811, Ddd99747
CID 58561101
US9156811, Ddd88642
CID 58561116
US9156811, Ddd88636
CID 58561178
US9156811, Ddd88641
CID 58561351
US9156811, Ddd90118
CID 58561377
US9156811, Ddd88009
CID 58561397
US9156811, Ddd99763
CID 117905416
US9156811, Ddd85639
CID 57400518

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide (CID 57395295) is 3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2cccc(C(N)=O)c2)cc1Cl.
What is the InChIKey of 3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is OGXPGKYZKXEGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3S/c1-10-17(11(2)25(3)23-10)24-29(27,28)18-15(20)8-14(9-16(18)21)12-5-4-6-13(7-12)19(22)26/h4-9,24H,1-3H3,(H2,22,26).
What are the key properties of 3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide?
3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 453.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 57395295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).