3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide

C7H12ClN3O3S — CID 106406470

IUPAC3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
SMILESCc1nc(CNS(=O)(=O)CCCCl)no1
InChIInChI=1S/C7H12ClN3O3S/c1-6-10-7(11-14-6)5-9-15(12,13)4-2-3-8/h9H,2-5H2,1H3
InChIKeyCDLKRBGHFCBTEA-UHFFFAOYSA-N
MW253.71 g/mol
LogP0.43
Rot. Bonds6

About 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide

3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide (PubChem CID 106406470) has the molecular formula C7H12ClN3O3S and a molecular weight of 253.71 g/mol. Its IUPAC name is 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
PubChem CID106406470
Molecular FormulaC7H12ClN3O3S
Molecular Weight253.71 g/mol
Exact Mass253.03
IUPAC Name3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
SMILESCc1nc(CNS(=O)(=O)CCCCl)no1
InChIInChI=1S/C7H12ClN3O3S/c1-6-10-7(11-14-6)5-9-15(12,13)4-2-3-8/h9H,2-5H2,1H3
InChIKeyCDLKRBGHFCBTEA-UHFFFAOYSA-N
XLogP0.43
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 114185417
4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 106410697
3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide
CID 106415621
4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid
CID 114185894
1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410779
2-(2-aminophenyl)sulfanyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide
CID 106391968
1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 46970053
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106423667
1-[3-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410708
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114185414
1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 103850460
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide (CID 106406470) is 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide is Cc1nc(CNS(=O)(=O)CCCCl)no1.
What is the InChIKey of 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is CDLKRBGHFCBTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O3S/c1-6-10-7(11-14-6)5-9-15(12,13)4-2-3-8/h9H,2-5H2,1H3.
What are the key properties of 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide?
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 253.71 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 106406470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).