N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide

C12H15N3O3S — CID 106373911

IUPACN-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ncc(C)o2)cc1
InChIInChI=1S/C12H15N3O3S/c1-9-7-15-12(18-9)8-14-10-3-5-11(6-4-10)19(16,17)13-2/h3-7,13-14H,8H2,1-2H3
InChIKeyUHXZLKMAVWSKJR-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.50
Rot. Bonds5

About N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide

N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide (PubChem CID 106373911) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
PubChem CID106373911
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ncc(C)o2)cc1
InChIInChI=1S/C12H15N3O3S/c1-9-7-15-12(18-9)8-14-10-3-5-11(6-4-10)19(16,17)13-2/h3-7,13-14H,8H2,1-2H3
InChIKeyUHXZLKMAVWSKJR-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503
1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one
CID 106373886
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-ethylsulfonylaniline
CID 103764564
N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide
CID 107143521
N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 114186437
N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660639
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-4-sulfonamide
CID 114180923
4-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369102
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 71857453
N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 43742551

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide (CID 106373911) is N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2ncc(C)o2)cc1.
What is the InChIKey of N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide?
The InChIKey is UHXZLKMAVWSKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9-7-15-12(18-9)8-14-10-3-5-11(6-4-10)19(16,17)13-2/h3-7,13-14H,8H2,1-2H3.
What are the key properties of N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide?
N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 106373911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).