5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide

C21H25N3O5S2 — CID 2436322

IUPAC5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)no1
InChIInChI=1S/C21H25N3O5S2/c1-14-6-7-16(21(3,4)5)13-19(14)31(27,28)23-17-8-10-18(11-9-17)30(25,26)24-20-12-15(2)29-22-20/h6-13,23H,1-5H3,(H,22,24)
InChIKeyXBPAOAZXMFAODA-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.19
Rot. Bonds6

About 5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide

5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide (PubChem CID 2436322) has the molecular formula C21H25N3O5S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
PubChem CID2436322
Molecular FormulaC21H25N3O5S2
Molecular Weight463.58 g/mol
Exact Mass463.12
IUPAC Name5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)no1
InChIInChI=1S/C21H25N3O5S2/c1-14-6-7-16(21(3,4)5)13-19(14)31(27,28)23-17-8-10-18(11-9-17)30(25,26)24-20-12-15(2)29-22-20/h6-13,23H,1-5H3,(H,22,24)
InChIKeyXBPAOAZXMFAODA-UHFFFAOYSA-N
XLogP4.19
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide with MolForge

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Related Compounds

4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 11271175
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
3-chloro-2-methyl-N-[4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide
CID 11376844
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-(2-bromoethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 153356564
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide
CID 113051818
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
CID 57350054
CID 57350054
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide (CID 2436322) is 5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)no1.
What is the InChIKey of 5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide?
The InChIKey is XBPAOAZXMFAODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S2/c1-14-6-7-16(21(3,4)5)13-19(14)31(27,28)23-17-8-10-18(11-9-17)30(25,26)24-20-12-15(2)29-22-20/h6-13,23H,1-5H3,(H,22,24).
What are the key properties of 5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide?
5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 463.58 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 2436322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).