N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide

C18H18ClN3O2S — CID 22202405

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2S/c1-13-18(21-25(23,24)17-10-8-16(19)9-11-17)14(2)22(20-13)12-15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3
InChIKeyBMFQCYBREMAYEM-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.00
Rot. Bonds5

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide (PubChem CID 22202405) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
PubChem CID22202405
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2S/c1-13-18(21-25(23,24)17-10-8-16(19)9-11-17)14(2)22(20-13)12-15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3
InChIKeyBMFQCYBREMAYEM-UHFFFAOYSA-N
XLogP4.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide (CID 22202405) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide is Cc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide?
The InChIKey is BMFQCYBREMAYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-13-18(21-25(23,24)17-10-8-16(19)9-11-17)14(2)22(20-13)12-15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3.
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide has a molecular weight of 375.88 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 22202405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).