1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide

C24H26N4O2S — CID 42284512

IUPAC1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C24H26N4O2S/c1-17-14-21(19-12-8-9-13-20(19)25-17)27-31(29,30)22-16-28(26-23(22)24(2,3)4)15-18-10-6-5-7-11-18/h5-14,16H,15H2,1-4H3,(H,25,27)
InChIKeyDIBSSMLAYFTQBJ-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.89
Rot. Bonds5

About 1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide

1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide (PubChem CID 42284512) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide
PubChem CID42284512
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C24H26N4O2S/c1-17-14-21(19-12-8-9-13-20(19)25-17)27-31(29,30)22-16-28(26-23(22)24(2,3)4)15-18-10-6-5-7-11-18/h5-14,16H,15H2,1-4H3,(H,25,27)
InChIKeyDIBSSMLAYFTQBJ-UHFFFAOYSA-N
XLogP4.89
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide
CID 42284784
1-benzyl-3-tert-butyl-N-(2,5-dichlorophenyl)pyrazole-4-sulfonamide
CID 42284483
1-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]-3-tert-butylpyrazole-4-sulfonamide
CID 42284500
1-benzyl-3-tert-butyl-N-(3,4-difluorophenyl)pyrazole-4-sulfonamide
CID 42284485
1-benzyl-3-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 42284527
1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide
CID 42284354
1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283073
1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42283111
3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide
CID 42284757
3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284724
1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide
CID 42284277
1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283031

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide (CID 42284512) is 1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide is Cc1cc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2C(C)(C)C)c2ccccc2n1.
What is the InChIKey of 1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide?
The InChIKey is DIBSSMLAYFTQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-17-14-21(19-12-8-9-13-20(19)25-17)27-31(29,30)22-16-28(26-23(22)24(2,3)4)15-18-10-6-5-7-11-18/h5-14,16H,15H2,1-4H3,(H,25,27).
What are the key properties of 1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide?
1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide has a molecular weight of 434.57 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42284512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).