N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide

C17H27NO5S — CID 95864984

IUPACN-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1OCCC
InChIInChI=1S/C17H27NO5S/c1-3-9-22-16-8-7-15(12-17(16)23-10-4-2)24(19,20)18-13-14-6-5-11-21-14/h7-8,12,14,18H,3-6,9-11,13H2,1-2H3/t14-/m0/s1
InChIKeyACTNVYWQGNCGON-AWEZNQCLSA-N
MW357.47 g/mol
LogP2.72
Rot. Bonds10

About N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide

N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide (PubChem CID 95864984) has the molecular formula C17H27NO5S and a molecular weight of 357.47 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
PubChem CID95864984
Molecular FormulaC17H27NO5S
Molecular Weight357.47 g/mol
Exact Mass357.16
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1OCCC
InChIInChI=1S/C17H27NO5S/c1-3-9-22-16-8-7-15(12-17(16)23-10-4-2)24(19,20)18-13-14-6-5-11-21-14/h7-8,12,14,18H,3-6,9-11,13H2,1-2H3/t14-/m0/s1
InChIKeyACTNVYWQGNCGON-AWEZNQCLSA-N
XLogP2.72
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butoxy-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793365
4-iodo-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 34886718
4-iodo-3-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19132665
3-iodo-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1248695
N-[2-ethoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 6458754
6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide
CID 870159
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide
CID 17161199
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide
CID 102551738
N-[2-methoxy-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 42066685
2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
CID 146130981
3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43098597

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide (CID 95864984) is N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1OCCC.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide?
The InChIKey is ACTNVYWQGNCGON-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27NO5S/c1-3-9-22-16-8-7-15(12-17(16)23-10-4-2)24(19,20)18-13-14-6-5-11-21-14/h7-8,12,14,18H,3-6,9-11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide?
N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide has a molecular weight of 357.47 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide is sourced from PubChem (CID 95864984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).