3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide

C10H10Cl2N4O3S — CID 106391987

IUPAC3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Cl)c(N)c2Cl)no1
InChIInChI=1S/C10H10Cl2N4O3S/c1-5-15-8(16-19-5)4-14-20(17,18)7-3-2-6(11)10(13)9(7)12/h2-3,14H,4,13H2,1H3
InChIKeyQLAYVBJMCLKZRC-UHFFFAOYSA-N
MW337.19 g/mol
LogP1.75
Rot. Bonds4

About 3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide

3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide (PubChem CID 106391987) has the molecular formula C10H10Cl2N4O3S and a molecular weight of 337.19 g/mol. Its IUPAC name is 3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
PubChem CID106391987
Molecular FormulaC10H10Cl2N4O3S
Molecular Weight337.19 g/mol
Exact Mass335.99
IUPAC Name3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Cl)c(N)c2Cl)no1
InChIInChI=1S/C10H10Cl2N4O3S/c1-5-15-8(16-19-5)4-14-20(17,18)7-3-2-6(11)10(13)9(7)12/h2-3,14H,4,13H2,1H3
InChIKeyQLAYVBJMCLKZRC-UHFFFAOYSA-N
XLogP1.75
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391941
3-amino-4-bromo-5-chloro-2-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391937
3-amino-2,4-dichloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392127
2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106401506
4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitrobenzenesulfonamide
CID 106407733
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 103740945
3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 114182877
3-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 106399412
5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413633
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 106405985
2,4-difluoro-3-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106410322
3-amino-2,4-difluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413593

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide (CID 106391987) is 3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2ccc(Cl)c(N)c2Cl)no1.
What is the InChIKey of 3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is QLAYVBJMCLKZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O3S/c1-5-15-8(16-19-5)4-14-20(17,18)7-3-2-6(11)10(13)9(7)12/h2-3,14H,4,13H2,1H3.
What are the key properties of 3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 337.19 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106391987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).