3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

C15H20ClNO3S — CID 86986018

IUPAC3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC2CCOC2)C2CC2)cc1Cl
InChIInChI=1S/C15H20ClNO3S/c1-11-2-5-14(8-15(11)16)21(18,19)17(13-3-4-13)9-12-6-7-20-10-12/h2,5,8,12-13H,3-4,6-7,9-10H2,1H3
InChIKeyWBZLDUIIYPRBPY-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.84
Rot. Bonds5

About 3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 86986018) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID86986018
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC2CCOC2)C2CC2)cc1Cl
InChIInChI=1S/C15H20ClNO3S/c1-11-2-5-14(8-15(11)16)21(18,19)17(13-3-4-13)9-12-6-7-20-10-12/h2,5,8,12-13H,3-4,6-7,9-10H2,1H3
InChIKeyWBZLDUIIYPRBPY-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-cyano-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47083579
1-(2-chlorophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)methanesulfonamide
CID 53551776
3-Chloro-4-fluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91915412
1-(2-Chlorophenyl)-N-methyl-N-[(oxolan-3-YL)methyl]methanesulfonamide
CID 91905741
3-Chloro-N-methyl-N-[(oxolan-3-YL)methyl]benzene-1-sulfonamide
CID 110875827
4-Chloro-3-methyl-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91905716
3-Chloro-N,4-dimethyl-N-[(oxolan-3-YL)methyl]benzene-1-sulfonamide
CID 91905739
3-Chloro-4-methyl-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91915404
1-(2-Chlorophenyl)-N-[(oxolan-3-YL)methyl]-N-propylmethanesulfonamide
CID 91915414
3-Chloro-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91915436
4-Chloro-2-methyl-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91915439
4-Chloro-N2-dimethyl-N-[(oxolan-3-YL)methyl]benzene-1-sulfonamide
CID 91915506

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 86986018) is 3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC2CCOC2)C2CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is WBZLDUIIYPRBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-11-2-5-14(8-15(11)16)21(18,19)17(13-3-4-13)9-12-6-7-20-10-12/h2,5,8,12-13H,3-4,6-7,9-10H2,1H3.
What are the key properties of 3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 329.85 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 86986018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).