3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide

C24H27Cl3N6O3S — CID 123444229

IUPAC3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide
SMILESCN(C)S(=O)(=O)NCc1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)N(c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C24H27Cl3N6O3S/c1-31(2)37(35,36)28-15-19-22(16-6-8-17(25)9-7-16)29-30-23(19)24(34)33(32-12-4-3-5-13-32)21-11-10-18(26)14-20(21)27/h6-11,14,28H,3-5,12-13,15H2,1-2H3,(H,29,30)
InChIKeyOIUSMMHYGOBDMM-UHFFFAOYSA-N
MW585.95 g/mol
LogP4.98
Rot. Bonds8

About 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide (PubChem CID 123444229) has the molecular formula C24H27Cl3N6O3S and a molecular weight of 585.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide
PubChem CID123444229
Molecular FormulaC24H27Cl3N6O3S
Molecular Weight585.95 g/mol
Exact Mass584.09
IUPAC Name3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide
SMILESCN(C)S(=O)(=O)NCc1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)N(c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C24H27Cl3N6O3S/c1-31(2)37(35,36)28-15-19-22(16-6-8-17(25)9-7-16)29-30-23(19)24(34)33(32-12-4-3-5-13-32)21-11-10-18(26)14-20(21)27/h6-11,14,28H,3-5,12-13,15H2,1-2H3,(H,29,30)
InChIKeyOIUSMMHYGOBDMM-UHFFFAOYSA-N
XLogP4.98
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.95
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide
CID 69163024
N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
CID 69164163
N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69164180
7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69164000
N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69165691
1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110443542
1-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-5-(5-pent-1-ynylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 89466614
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 70255079
2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide
CID 59363248
4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 56762534
5-(4-chlorophenyl)-2H-triazole-4-carboxylic acid
CID 82372862
4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide
CID 24955585

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide (CID 123444229) is 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide is CN(C)S(=O)(=O)NCc1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)N(c1ccc(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide?
The InChIKey is OIUSMMHYGOBDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl3N6O3S/c1-31(2)37(35,36)28-15-19-22(16-6-8-17(25)9-7-16)29-30-23(19)24(34)33(32-12-4-3-5-13-32)21-11-10-18(26)14-20(21)27/h6-11,14,28H,3-5,12-13,15H2,1-2H3,(H,29,30).
What are the key properties of 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide has a molecular weight of 585.95 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 123444229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).