4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C11H13N3O5S2 — CID 2446459

IUPAC4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)no1
InChIInChI=1S/C11H13N3O5S2/c1-8-7-11(12-19-8)14-21(17,18)10-5-3-9(4-6-10)13-20(2,15)16/h3-7,13H,1-2H3,(H,12,14)
InChIKeyLKBUYBAZTBKXHY-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.16
Rot. Bonds5

About 4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 2446459) has the molecular formula C11H13N3O5S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID2446459
Molecular FormulaC11H13N3O5S2
Molecular Weight331.38 g/mol
Exact Mass331.03
IUPAC Name4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)no1
InChIInChI=1S/C11H13N3O5S2/c1-8-7-11(12-19-8)14-21(17,18)10-5-3-9(4-6-10)13-20(2,15)16/h3-7,13H,1-2H3,(H,12,14)
InChIKeyLKBUYBAZTBKXHY-UHFFFAOYSA-N
XLogP1.16
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide
CID 112990402
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
CID 57350054
CID 57350054
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
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
2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 11271175
5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 2436322
3-chloro-2-methyl-N-[4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide
CID 11376844

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 2446459) is 4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)no1.
What is the InChIKey of 4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is LKBUYBAZTBKXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S2/c1-8-7-11(12-19-8)14-21(17,18)10-5-3-9(4-6-10)13-20(2,15)16/h3-7,13H,1-2H3,(H,12,14).
What are the key properties of 4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 331.38 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2446459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).