4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide

C17H15Cl2N3O2S — CID 2925011

IUPAC4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O2S/c1-10-17(12-3-8-15(18)16(19)9-12)11(2)22(21-10)13-4-6-14(7-5-13)25(20,23)24/h3-9H,1-2H3,(H2,20,23,24)
InChIKeyGXKOUMPZQJEKTP-UHFFFAOYSA-N
MW396.30 g/mol
LogP4.11
Rot. Bonds3

About 4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide

4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide (PubChem CID 2925011) has the molecular formula C17H15Cl2N3O2S and a molecular weight of 396.30 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide
PubChem CID2925011
Molecular FormulaC17H15Cl2N3O2S
Molecular Weight396.30 g/mol
Exact Mass395.03
IUPAC Name4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O2S/c1-10-17(12-3-8-15(18)16(19)9-12)11(2)22(21-10)13-4-6-14(7-5-13)25(20,23)24/h3-9H,1-2H3,(H2,20,23,24)
InChIKeyGXKOUMPZQJEKTP-UHFFFAOYSA-N
XLogP4.11
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide (CID 2925011) is 4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide is Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is GXKOUMPZQJEKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2S/c1-10-17(12-3-8-15(18)16(19)9-12)11(2)22(21-10)13-4-6-14(7-5-13)25(20,23)24/h3-9H,1-2H3,(H2,20,23,24).
What are the key properties of 4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide?
4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 396.30 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 2925011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).