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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 42283696
1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683642
N-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
CID 42283697
3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 42283699
4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 19683635
5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 25038245
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide
CID 121079900
4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 17377245
4-(2-cyanoethylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 39311105

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).