3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

C13H18ClNO3S — CID 91905739

IUPAC3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC2CCOC2)cc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-10-3-4-12(7-13(10)14)19(16,17)15(2)8-11-5-6-18-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyLUTJNOZYGXGHPP-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.31
Rot. Bonds4

About 3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 91905739) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID91905739
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC2CCOC2)cc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-10-3-4-12(7-13(10)14)19(16,17)15(2)8-11-5-6-18-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyLUTJNOZYGXGHPP-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3-Chloro-4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3354350
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-N-(2-cyanoethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 53591259
3-Fluoro-N,4-dimethyl-N-[(oxolan-3-YL)methyl]benzene-1-sulfonamide
CID 71977813
3-Chloro-4-fluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91915412
3-Chloro-4-fluoro-N-methyl-N-[(oxolan-3-YL)methyl]benzene-1-sulfonamide
CID 91915496
3-Chloro-N-methyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 91905239
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
2-chloro-N-methyl-N-(tetrahydro-3-furanylmethyl)-1-benzenesulfonamide
CID 71977810
1-(2-Chlorophenyl)-N-methyl-N-[(oxan-4-YL)methyl]methanesulfonamide
CID 91905217

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 91905739) is 3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC2CCOC2)cc1Cl.
What is the InChIKey of 3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is LUTJNOZYGXGHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-10-3-4-12(7-13(10)14)19(16,17)15(2)8-11-5-6-18-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3.
What are the key properties of 3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 91905739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).