3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide

C19H24N6O4S2 — CID 42283702

IUPAC3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cn(C)nc3C(C)(C)C)cc2)n1
InChIInChI=1S/C19H24N6O4S2/c1-13-10-11-20-18(21-13)24-30(26,27)15-8-6-14(7-9-15)23-31(28,29)16-12-25(5)22-17(16)19(2,3)4/h6-12,23H,1-5H3,(H,20,21,24)
InChIKeyYWUBAZXZQVNZIM-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.42
Rot. Bonds6

About 3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide

3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide (PubChem CID 42283702) has the molecular formula C19H24N6O4S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
PubChem CID42283702
Molecular FormulaC19H24N6O4S2
Molecular Weight464.57 g/mol
Exact Mass464.13
IUPAC Name3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cn(C)nc3C(C)(C)C)cc2)n1
InChIInChI=1S/C19H24N6O4S2/c1-13-10-11-20-18(21-13)24-30(26,27)15-8-6-14(7-9-15)23-31(28,29)16-12-25(5)22-17(16)19(2,3)4/h6-12,23H,1-5H3,(H,20,21,24)
InChIKeyYWUBAZXZQVNZIM-UHFFFAOYSA-N
XLogP2.42
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide (CID 42283702) is 3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cn(C)nc3C(C)(C)C)cc2)n1.
What is the InChIKey of 3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The InChIKey is YWUBAZXZQVNZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4S2/c1-13-10-11-20-18(21-13)24-30(26,27)15-8-6-14(7-9-15)23-31(28,29)16-12-25(5)22-17(16)19(2,3)4/h6-12,23H,1-5H3,(H,20,21,24).
What are the key properties of 3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide has a molecular weight of 464.57 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 42283702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).