3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide

C19H25N5O5S2 — CID 42283699

IUPAC3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cn(C)nc3C(C)(C)C)cc2)c1C
InChIInChI=1S/C19H25N5O5S2/c1-12-13(2)21-29-18(12)23-30(25,26)15-9-7-14(8-10-15)22-31(27,28)16-11-24(6)20-17(16)19(3,4)5/h7-11,22-23H,1-6H3
InChIKeyGOAZVTADXMVWMJ-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.92
Rot. Bonds6

About 3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide

3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 42283699) has the molecular formula C19H25N5O5S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide
PubChem CID42283699
Molecular FormulaC19H25N5O5S2
Molecular Weight467.57 g/mol
Exact Mass467.13
IUPAC Name3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cn(C)nc3C(C)(C)C)cc2)c1C
InChIInChI=1S/C19H25N5O5S2/c1-12-13(2)21-29-18(12)23-30(25,26)15-9-7-14(8-10-15)22-31(27,28)16-11-24(6)20-17(16)19(3,4)5/h7-11,22-23H,1-6H3
InChIKeyGOAZVTADXMVWMJ-UHFFFAOYSA-N
XLogP2.92
TPSA136.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide (CID 42283699) is 3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide is Cc1noc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cn(C)nc3C(C)(C)C)cc2)c1C.
What is the InChIKey of 3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is GOAZVTADXMVWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5S2/c1-12-13(2)21-29-18(12)23-30(25,26)15-9-7-14(8-10-15)22-31(27,28)16-11-24(6)20-17(16)19(3,4)5/h7-11,22-23H,1-6H3.
What are the key properties of 3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide?
3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 467.57 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).