N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C18H18Cl2N4O4S2 — CID 22202693

IUPACN-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N4O4S2/c1-11-18(12(2)24(3)21-11)30(27,28)22-13-4-7-15(8-5-13)29(25,26)23-14-6-9-16(19)17(20)10-14/h4-10,22-23H,1-3H3
InChIKeyIVNBYOKDLBQAEO-UHFFFAOYSA-N
MW489.41 g/mol
LogP3.95
Rot. Bonds6

About N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 22202693) has the molecular formula C18H18Cl2N4O4S2 and a molecular weight of 489.41 g/mol. Its IUPAC name is N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID22202693
Molecular FormulaC18H18Cl2N4O4S2
Molecular Weight489.41 g/mol
Exact Mass488.01
IUPAC NameN-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N4O4S2/c1-11-18(12(2)24(3)21-11)30(27,28)22-13-4-7-15(8-5-13)29(25,26)23-14-6-9-16(19)17(20)10-14/h4-10,22-23H,1-3H3
InChIKeyIVNBYOKDLBQAEO-UHFFFAOYSA-N
XLogP3.95
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203236
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19683754
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773571
1,3,5-trimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 8823656
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254
N-(3-bromo-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104779597
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22772007
N-[4-bromo-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823248
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 22202693) is N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is IVNBYOKDLBQAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O4S2/c1-11-18(12(2)24(3)21-11)30(27,28)22-13-4-7-15(8-5-13)29(25,26)23-14-6-9-16(19)17(20)10-14/h4-10,22-23H,1-3H3.
What are the key properties of N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 489.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22202693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).