4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide

C13H18N4O3S — CID 82899595

IUPAC4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide
SMILESCc1noc(C)c1C(C)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H18N4O3S/c1-7(13-8(2)17-20-9(13)3)16-12-6-10(21(15,18)19)4-5-11(12)14/h4-7,16H,14H2,1-3H3,(H2,15,18,19)
InChIKeyWANYPZUNPVATTP-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.69
Rot. Bonds4

About 4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide

4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide (PubChem CID 82899595) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide
PubChem CID82899595
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide
SMILESCc1noc(C)c1C(C)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H18N4O3S/c1-7(13-8(2)17-20-9(13)3)16-12-6-10(21(15,18)19)4-5-11(12)14/h4-7,16H,14H2,1-3H3,(H2,15,18,19)
InChIKeyWANYPZUNPVATTP-UHFFFAOYSA-N
XLogP1.69
TPSA124.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline
CID 133312059
1-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 79225191
4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
CID 82900229
4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide
CID 82907095
4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 82907089
4-(difluoromethylsulfonyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-nitroaniline
CID 133312071
2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
CID 82907013
1-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 114041311
5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine
CID 79224287
4-amino-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 82907687
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 79237898
methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate
CID 79231115

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide (CID 82899595) is 4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide is Cc1noc(C)c1C(C)Nc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide?
The InChIKey is WANYPZUNPVATTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-7(13-8(2)17-20-9(13)3)16-12-6-10(21(15,18)19)4-5-11(12)14/h4-7,16H,14H2,1-3H3,(H2,15,18,19).
What are the key properties of 4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide?
4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 82899595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).