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

C12H15N3O3S — CID 62148521

IUPAC4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C12H15N3O3S/c1-3-13-10-4-6-11(7-5-10)19(16,17)15-12-8-9(2)18-14-12/h4-8,13H,3H2,1-2H3,(H,14,15)
InChIKeyQTGCXXGYAHMFKZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.22
Rot. Bonds5

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

4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 62148521) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID62148521
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C12H15N3O3S/c1-3-13-10-4-6-11(7-5-10)19(16,17)15-12-8-9(2)18-14-12/h4-8,13H,3H2,1-2H3,(H,14,15)
InChIKeyQTGCXXGYAHMFKZ-UHFFFAOYSA-N
XLogP2.22
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
4-(2-bromoethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 153356564
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
1-ethyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
CID 2730614
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
CID 57350054
CID 57350054
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 562945
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 62148521) is 4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is QTGCXXGYAHMFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-13-10-4-6-11(7-5-10)19(16,17)15-12-8-9(2)18-14-12/h4-8,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 62148521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).