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

C13H17N3O3S — CID 60822085

IUPAC4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C13H17N3O3S/c1-3-14-9-11-4-6-12(7-5-11)20(17,18)16-13-8-10(2)19-15-13/h4-8,14H,3,9H2,1-2H3,(H,15,16)
InChIKeyZIQYSGRAEPPHLF-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.89
Rot. Bonds6

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

4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 60822085) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID60822085
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C13H17N3O3S/c1-3-14-9-11-4-6-12(7-5-11)20(17,18)16-13-8-10(2)19-15-13/h4-8,14H,3,9H2,1-2H3,(H,15,16)
InChIKeyZIQYSGRAEPPHLF-UHFFFAOYSA-N
XLogP1.89
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 562945
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
4-(ethylaminomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60822205
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
1-ethyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
CID 2730614
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
CID 57350054
CID 57350054
4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106402266
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
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60823882

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 60822085) is 4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is ZIQYSGRAEPPHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-14-9-11-4-6-12(7-5-11)20(17,18)16-13-8-10(2)19-15-13/h4-8,14H,3,9H2,1-2H3,(H,15,16).
What are the key properties of 4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 60822085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).