4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide

C13H16ClN3O5S2 — CID 9186603

IUPAC4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C13H16ClN3O5S2/c1-8(2)11(12-15-16-13(22-12)23(3,18)19)17-24(20,21)10-6-4-9(14)5-7-10/h4-8,11,17H,1-3H3/t11-/m0/s1
InChIKeyGHNLFBSVFYOFPI-NSHDSACASA-N
MW393.87 g/mol
LogP1.80
Rot. Bonds6

About 4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide

4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide (PubChem CID 9186603) has the molecular formula C13H16ClN3O5S2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
PubChem CID9186603
Molecular FormulaC13H16ClN3O5S2
Molecular Weight393.87 g/mol
Exact Mass393.02
IUPAC Name4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C13H16ClN3O5S2/c1-8(2)11(12-15-16-13(22-12)23(3,18)19)17-24(20,21)10-6-4-9(14)5-7-10/h4-8,11,17H,1-3H3/t11-/m0/s1
InChIKeyGHNLFBSVFYOFPI-NSHDSACASA-N
XLogP1.80
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
CID 9187200
1-(4-fluorophenyl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]methanesulfonamide
CID 9186694
2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide
CID 9186882
2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole
CID 54510797
2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 9186119
4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 110322095
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide
CID 9188811
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
3-chloro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 9186384
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55927123
4-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzenesulfonamide
CID 3745238

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide (CID 9186603) is 4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide is CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide?
The InChIKey is GHNLFBSVFYOFPI-NSHDSACASA-N. The full InChI is InChI=1S/C13H16ClN3O5S2/c1-8(2)11(12-15-16-13(22-12)23(3,18)19)17-24(20,21)10-6-4-9(14)5-7-10/h4-8,11,17H,1-3H3/t11-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide?
4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide has a molecular weight of 393.87 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 9186603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).