N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide

C18H17N5O2S2 — CID 22202444

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C18H17N5O2S2/c1-12-17(13(2)23(19-12)11-14-7-4-3-5-8-14)22-27(24,25)16-10-6-9-15-18(16)21-26-20-15/h3-10,22H,11H2,1-2H3
InChIKeyXDSQFSFKPRAZIV-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.35
Rot. Bonds5

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 22202444) has the molecular formula C18H17N5O2S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID22202444
Molecular FormulaC18H17N5O2S2
Molecular Weight399.50 g/mol
Exact Mass399.08
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C18H17N5O2S2/c1-12-17(13(2)23(19-12)11-14-7-4-3-5-8-14)22-27(24,25)16-10-6-9-15-18(16)21-26-20-15/h3-10,22H,11H2,1-2H3
InChIKeyXDSQFSFKPRAZIV-UHFFFAOYSA-N
XLogP3.35
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide
CID 22202436
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22202446
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22205131
N-(2,6-dimethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 5113255
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22207634
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22206694
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide
CID 22203069
N-(2-amino-6-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 43343954
N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride
CID 46823308
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
CID 22202442
N-(2,3,5,6-tetrafluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22774605

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 22202444) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide is Cc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is XDSQFSFKPRAZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S2/c1-12-17(13(2)23(19-12)11-14-7-4-3-5-8-14)22-27(24,25)16-10-6-9-15-18(16)21-26-20-15/h3-10,22H,11H2,1-2H3.
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 399.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 22202444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).