4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide

C10H13N5O3S — CID 106393414

IUPAC4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCc2ncon2)c1
InChIInChI=1S/C10H13N5O3S/c1-12-19(16,17)7-2-3-8(11)9(4-7)13-5-10-14-6-18-15-10/h2-4,6,12-13H,5,11H2,1H3
InChIKeyFMHPCWSJKJLPGH-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.17
Rot. Bonds5

About 4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide

4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide (PubChem CID 106393414) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
PubChem CID106393414
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC Name4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCc2ncon2)c1
InChIInChI=1S/C10H13N5O3S/c1-12-19(16,17)7-2-3-8(11)9(4-7)13-5-10-14-6-18-15-10/h2-4,6,12-13H,5,11H2,1H3
InChIKeyFMHPCWSJKJLPGH-UHFFFAOYSA-N
XLogP0.17
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
CID 106393237
4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
CID 82900736
4-amino-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106402302
4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106007379
4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 82901368
4-amino-3-[(2-bromophenyl)methylamino]-N-methylbenzenesulfonamide
CID 82900167
2-amino-5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392142
4-amino-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 82898098
2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine
CID 106393331
4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018
4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393220
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106166710

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide (CID 106393414) is 4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NCc2ncon2)c1.
What is the InChIKey of 4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide?
The InChIKey is FMHPCWSJKJLPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S/c1-12-19(16,17)7-2-3-8(11)9(4-7)13-5-10-14-6-18-15-10/h2-4,6,12-13H,5,11H2,1H3.
What are the key properties of 4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide?
4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide has a molecular weight of 283.31 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 106393414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).