2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide

C12H14ClN3O5S2 — CID 97009359

IUPAC2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide
SMILESCc1nnc([C@H](C)NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1
InChIInChI=1S/C12H14ClN3O5S2/c1-7(12-15-14-8(2)21-12)16-23(19,20)11-6-9(22(3,17)18)4-5-10(11)13/h4-7,16H,1-3H3/t7-/m0/s1
InChIKeyFYODZEBZOBDBMR-ZETCQYMHSA-N
MW379.85 g/mol
LogP1.47
Rot. Bonds5

About 2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide

2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide (PubChem CID 97009359) has the molecular formula C12H14ClN3O5S2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide
PubChem CID97009359
Molecular FormulaC12H14ClN3O5S2
Molecular Weight379.85 g/mol
Exact Mass379.01
IUPAC Name2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide
SMILESCc1nnc([C@H](C)NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1
InChIInChI=1S/C12H14ClN3O5S2/c1-7(12-15-14-8(2)21-12)16-23(19,20)11-6-9(22(3,17)18)4-5-10(11)13/h4-7,16H,1-3H3/t7-/m0/s1
InChIKeyFYODZEBZOBDBMR-ZETCQYMHSA-N
XLogP1.47
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide with MolForge

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Related Compounds

2-chloro-N-[(2S)-5-methylhexan-2-yl]-5-methylsulfonylbenzenesulfonamide
CID 35295404
2-[(2-chloro-5-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43415212
2-chloro-N-(2-methylpropoxy)-5-methylsulfonylbenzenesulfonamide
CID 82715577
N-(3-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63251758
4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 110322095
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 9186119
2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 62656822
N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63730770
2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 22201049
N-cyclopentyl-3-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]sulfamoyl]benzamide
CID 97192198
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 103836927

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide (CID 97009359) is 2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide is Cc1nnc([C@H](C)NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1.
What is the InChIKey of 2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide?
The InChIKey is FYODZEBZOBDBMR-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14ClN3O5S2/c1-7(12-15-14-8(2)21-12)16-23(19,20)11-6-9(22(3,17)18)4-5-10(11)13/h4-7,16H,1-3H3/t7-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide?
2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide has a molecular weight of 379.85 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 97009359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).