5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide

C19H22N4O2S — CID 30868177

IUPAC5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C19H22N4O2S/c1-14-6-7-15(19(2,3)4)12-17(14)26(24,25)22-16-8-9-18(20-13-16)23-11-5-10-21-23/h5-13,22H,1-4H3
InChIKeyMMNDQFQPYXMSQZ-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.67
Rot. Bonds4

About 5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide

5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 30868177) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
PubChem CID30868177
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C19H22N4O2S/c1-14-6-7-15(19(2,3)4)12-17(14)26(24,25)22-16-8-9-18(20-13-16)23-11-5-10-21-23/h5-13,22H,1-4H3
InChIKeyMMNDQFQPYXMSQZ-UHFFFAOYSA-N
XLogP3.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499347
4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499352
3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618671
N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 56777957
dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate
CID 30766155
4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 39328743
5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135065
2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide
CID 146127486
4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618610
5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 2436322
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938594
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide (CID 30868177) is 5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is MMNDQFQPYXMSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-6-7-15(19(2,3)4)12-17(14)26(24,25)22-16-8-9-18(20-13-16)23-11-5-10-21-23/h5-13,22H,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 30868177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).