4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide

C19H24N2O3S — CID 135117229

IUPAC4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)16-3-5-18(6-4-16)25(22,23)21-19-13-24-12-17(19)11-15-7-9-20-10-8-15/h3-10,14,17,19,21H,11-13H2,1-2H3/t17-,19-/m1/s1
InChIKeyHUSQKBQUUZTPJU-IEBWSBKVSA-N
MW360.48 g/mol
LogP2.74
Rot. Bonds6

About 4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide

4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide (PubChem CID 135117229) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
PubChem CID135117229
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)16-3-5-18(6-4-16)25(22,23)21-19-13-24-12-17(19)11-15-7-9-20-10-8-15/h3-10,14,17,19,21H,11-13H2,1-2H3/t17-,19-/m1/s1
InChIKeyHUSQKBQUUZTPJU-IEBWSBKVSA-N
XLogP2.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135095493
3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135107844
N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide
CID 155919610
2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135110468
2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711883
2-methyl-5-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135087684
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134708693
4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135091810
1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
CID 155919724

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide (CID 135117229) is 4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The InChIKey is HUSQKBQUUZTPJU-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14(2)16-3-5-18(6-4-16)25(22,23)21-19-13-24-12-17(19)11-15-7-9-20-10-8-15/h3-10,14,17,19,21H,11-13H2,1-2H3/t17-,19-/m1/s1.
What are the key properties of 4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 135117229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).