4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C12H15N3O3S — CID 106422766

IUPAC4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCc2ccno2)cc1
InChIInChI=1S/C12H15N3O3S/c1-2-13-10-3-5-12(6-4-10)19(16,17)15-9-11-7-8-14-18-11/h3-8,13,15H,2,9H2,1H3
InChIKeyYSRMIXIUKLPNEY-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.58
Rot. Bonds6

About 4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106422766) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID106422766
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCc2ccno2)cc1
InChIInChI=1S/C12H15N3O3S/c1-2-13-10-3-5-12(6-4-10)19(16,17)15-9-11-7-8-14-18-11/h3-8,13,15H,2,9H2,1H3
InChIKeyYSRMIXIUKLPNEY-UHFFFAOYSA-N
XLogP1.58
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 114186437
N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106420018
4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423847
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106422783
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423811
4-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176602
3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423936
4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 62157363
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
1-[2-(ethylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106423967
3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106419481

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 106422766) is 4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)NCc2ccno2)cc1.
What is the InChIKey of 4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is YSRMIXIUKLPNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-2-13-10-3-5-12(6-4-10)19(16,17)15-9-11-7-8-14-18-11/h3-8,13,15H,2,9H2,1H3.
What are the key properties of 4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106422766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).