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

C11H13N3O3S — CID 15764446

IUPAC4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide
SMILESCc1noc(Nc2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C11H13N3O3S/c1-7-8(2)14-17-11(7)13-9-3-5-10(6-4-9)18(12,15)16/h3-6,13H,1-2H3,(H2,12,15,16)
InChIKeyOMNLVOXPYRHTTD-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.68
Rot. Bonds3

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

4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide (PubChem CID 15764446) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide
PubChem CID15764446
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide
SMILESCc1noc(Nc2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C11H13N3O3S/c1-7-8(2)14-17-11(7)13-9-3-5-10(6-4-9)18(12,15)16/h3-6,13H,1-2H3,(H2,12,15,16)
InChIKeyOMNLVOXPYRHTTD-UHFFFAOYSA-N
XLogP1.68
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 2328420
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzenesulfonamide
CID 65487179
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
CID 10015852
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19683718
4-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 65488716
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylbutanamide
CID 3456725
4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5068079
4-(diethylphosphorylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 134087514
4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
CID 2881633
4-[[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;hydrochloride
CID 162327040

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide (CID 15764446) is 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide is Cc1noc(Nc2ccc(S(N)(=O)=O)cc2)c1C.
What is the InChIKey of 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide?
The InChIKey is OMNLVOXPYRHTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-8(2)14-17-11(7)13-9-3-5-10(6-4-9)18(12,15)16/h3-6,13H,1-2H3,(H2,12,15,16).
What are the key properties of 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide?
4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide is sourced from PubChem (CID 15764446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).