N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide

C23H30N2O5S — CID 661480

IUPACN-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1cccc(C)c1OCC(O)CNS(=O)(=O)c1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C23H30N2O5S/c1-17-9-8-10-18(2)22(17)30-16-19(26)15-24-31(28,29)21-12-5-4-11-20(21)23(27)25-13-6-3-7-14-25/h4-5,8-12,19,24,26H,3,6-7,13-16H2,1-2H3
InChIKeyVDRAXOJTWGVSPU-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.65
Rot. Bonds8

About N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide

N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 661480) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID661480
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1cccc(C)c1OCC(O)CNS(=O)(=O)c1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C23H30N2O5S/c1-17-9-8-10-18(2)22(17)30-16-19(26)15-24-31(28,29)21-12-5-4-11-20(21)23(27)25-13-6-3-7-14-25/h4-5,8-12,19,24,26H,3,6-7,13-16H2,1-2H3
InChIKeyVDRAXOJTWGVSPU-UHFFFAOYSA-N
XLogP2.65
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 121380359
2-[[(2S)-2-hydroxy-3-(4-methoxycarbonylphenoxy)propyl]sulfamoyl]benzoic acid
CID 40591803
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol
CID 60903981
2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069442
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 115671903
2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 18071831
1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol
CID 106813078
[2-(piperidine-1-carbonyl)phenyl]boronic acid
CID 90477220
methyl 4-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoate
CID 43069472
2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 4958532
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide (CID 661480) is N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide is Cc1cccc(C)c1OCC(O)CNS(=O)(=O)c1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is VDRAXOJTWGVSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-17-9-8-10-18(2)22(17)30-16-19(26)15-24-31(28,29)21-12-5-4-11-20(21)23(27)25-13-6-3-7-14-25/h4-5,8-12,19,24,26H,3,6-7,13-16H2,1-2H3.
What are the key properties of N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide?
N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 446.57 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 661480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).