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

C14H18ClN3O5S2 — CID 9187200

IUPAC3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C14H18ClN3O5S2/c1-9(2)7-12(13-16-17-14(23-13)24(3,19)20)18-25(21,22)11-6-4-5-10(15)8-11/h4-6,8-9,12,18H,7H2,1-3H3/t12-/m0/s1
InChIKeyWYFPBLOLOPAVLP-LBPRGKRZSA-N
MW407.90 g/mol
LogP2.19
Rot. Bonds7

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

3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide (PubChem CID 9187200) has the molecular formula C14H18ClN3O5S2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
PubChem CID9187200
Molecular FormulaC14H18ClN3O5S2
Molecular Weight407.90 g/mol
Exact Mass407.04
IUPAC Name3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C14H18ClN3O5S2/c1-9(2)7-12(13-16-17-14(23-13)24(3,19)20)18-25(21,22)11-6-4-5-10(15)8-11/h4-6,8-9,12,18H,7H2,1-3H3/t12-/m0/s1
InChIKeyWYFPBLOLOPAVLP-LBPRGKRZSA-N
XLogP2.19
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
CID 9186603
1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide
CID 9187183
3-chloro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 9186384
N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110288398
4-fluoro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 9187332
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide
CID 65192522
3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide
CID 83180571
3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 18271278
4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 9187293
1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9186143
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide (CID 9187200) is 3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide is CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide?
The InChIKey is WYFPBLOLOPAVLP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18ClN3O5S2/c1-9(2)7-12(13-16-17-14(23-13)24(3,19)20)18-25(21,22)11-6-4-5-10(15)8-11/h4-6,8-9,12,18H,7H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide?
3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide has a molecular weight of 407.90 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 9187200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).