3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide

C18H22N2O3S — CID 135107844

IUPAC3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1C
InChIInChI=1S/C18H22N2O3S/c1-13-3-4-17(9-14(13)2)24(21,22)20-18-12-23-11-16(18)10-15-5-7-19-8-6-15/h3-9,16,18,20H,10-12H2,1-2H3/t16-,18-/m1/s1
InChIKeyZQASHTPJDMKEPV-SJLPKXTDSA-N
MW346.45 g/mol
LogP2.23
Rot. Bonds5

About 3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide

3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide (PubChem CID 135107844) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
PubChem CID135107844
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1C
InChIInChI=1S/C18H22N2O3S/c1-13-3-4-17(9-14(13)2)24(21,22)20-18-12-23-11-16(18)10-15-5-7-19-8-6-15/h3-9,16,18,20H,10-12H2,1-2H3/t16-,18-/m1/s1
InChIKeyZQASHTPJDMKEPV-SJLPKXTDSA-N
XLogP2.23
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]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-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135110468
4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135117229
N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide
CID 155919610
2-methyl-5-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135087684
2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135095493
2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711883
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide
CID 135103473
1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
CID 155919724
2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134711078
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 135104921
3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134708693
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide (CID 135107844) is 3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The InChIKey is ZQASHTPJDMKEPV-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-3-4-17(9-14(13)2)24(21,22)20-18-12-23-11-16(18)10-15-5-7-19-8-6-15/h3-9,16,18,20H,10-12H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of 3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 135107844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).