5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide

C17H15Cl2N3O3S — CID 3854841

IUPAC5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15Cl2N3O3S/c1-11-16(17(19)22(2)20-11)26(23,24)21-13-5-9-15(10-6-13)25-14-7-3-12(18)4-8-14/h3-10,21H,1-2H3
InChIKeyOYNFLCCFMOIPDY-UHFFFAOYSA-N
MW412.30 g/mol
LogP4.63
Rot. Bonds5

About 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 3854841) has the molecular formula C17H15Cl2N3O3S and a molecular weight of 412.30 g/mol. Its IUPAC name is 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID3854841
Molecular FormulaC17H15Cl2N3O3S
Molecular Weight412.30 g/mol
Exact Mass411.02
IUPAC Name5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15Cl2N3O3S/c1-11-16(17(19)22(2)20-11)26(23,24)21-13-5-9-15(10-6-13)25-14-7-3-12(18)4-8-14/h3-10,21H,1-2H3
InChIKeyOYNFLCCFMOIPDY-UHFFFAOYSA-N
XLogP4.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.30
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3507128
5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 55730964
(4-chlorophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate
CID 2777132
5-chloro-1,3-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 25038632
N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide
CID 55895951
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 25038245
N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 17283107
5-chloro-1,3-dimethyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrazole-4-sulfonamide
CID 86870290
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731289
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203236
1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea
CID 55731026

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 3854841) is 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is OYNFLCCFMOIPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3S/c1-11-16(17(19)22(2)20-11)26(23,24)21-13-5-9-15(10-6-13)25-14-7-3-12(18)4-8-14/h3-10,21H,1-2H3.
What are the key properties of 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 412.30 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 3854841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).