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

C13H18FNO3S — CID 71977813

IUPAC3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC2CCOC2)cc1F
InChIInChI=1S/C13H18FNO3S/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
InChIKeyNQXKXZVFYWJXON-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.79
Rot. Bonds4

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

3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 71977813) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID71977813
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC2CCOC2)cc1F
InChIInChI=1S/C13H18FNO3S/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
InChIKeyNQXKXZVFYWJXON-UHFFFAOYSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 91905238
5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 110875822
2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 102554956
N-methyl-N-(oxolan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 91905749
3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905715
3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915434
3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 86986018
3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61138357
N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697628
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
2-bromo-N,5-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 97330561
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzenesulfonamide
CID 114951868

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 71977813) is 3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC2CCOC2)cc1F.
What is the InChIKey of 3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is NQXKXZVFYWJXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/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-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 71977813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).