1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C25H18Cl2N4O3S2 — CID 5159788

IUPAC1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)cc12
InChIInChI=1S/C25H18Cl2N4O3S2/c1-15-20-14-23(35-25(20)31(29-15)18-11-9-16(26)10-12-18)24(32)28-17-5-4-6-19(13-17)36(33,34)30-22-8-3-2-7-21(22)27/h2-14,30H,1H3,(H,28,32)
InChIKeyXBOQOFHYLBLIDB-UHFFFAOYSA-N
MW557.48 g/mol
LogP6.76
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 5159788) has the molecular formula C25H18Cl2N4O3S2 and a molecular weight of 557.48 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID5159788
Molecular FormulaC25H18Cl2N4O3S2
Molecular Weight557.48 g/mol
Exact Mass556.02
IUPAC Name1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)cc12
InChIInChI=1S/C25H18Cl2N4O3S2/c1-15-20-14-23(35-25(20)31(29-15)18-11-9-16(26)10-12-18)24(32)28-17-5-4-6-19(13-17)36(33,34)30-22-8-3-2-7-21(22)27/h2-14,30H,1H3,(H,28,32)
InChIKeyXBOQOFHYLBLIDB-UHFFFAOYSA-N
XLogP6.76
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.48
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2382255
3-methyl-1-phenyl-N-(3-sulfamoylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 9413201
N-(3-fluorophenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53008862
2,5-dichloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26593136
N-[5-[(4-chlorophenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1468170
N-(3-cyanophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2341628
N-(3-acetamido-4-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55784656
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
N-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819477
N-(3-chloro-4-fluorophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 3907161
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
CID 55986969
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
CID 26593085

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 5159788) is 1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)cc12.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is XBOQOFHYLBLIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4O3S2/c1-15-20-14-23(35-25(20)31(29-15)18-11-9-16(26)10-12-18)24(32)28-17-5-4-6-19(13-17)36(33,34)30-22-8-3-2-7-21(22)27/h2-14,30H,1H3,(H,28,32).
What are the key properties of 1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 557.48 g/mol, XLogP of 6.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 5159788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).