N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide

C14H20N2O5S — CID 135111757

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cccc(O)c1
InChIInChI=1S/C14H20N2O5S/c1-16(2)22(19,20)9-11-7-21-8-13(11)15-14(18)10-4-3-5-12(17)6-10/h3-6,11,13,17H,7-9H2,1-2H3,(H,15,18)/t11-,13-/m0/s1
InChIKeySFRQNUWRFYNBSM-AAEUAGOBSA-N
MW328.39 g/mol
LogP0.03
Rot. Bonds5

About N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide (PubChem CID 135111757) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
PubChem CID135111757
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cccc(O)c1
InChIInChI=1S/C14H20N2O5S/c1-16(2)22(19,20)9-11-7-21-8-13(11)15-14(18)10-4-3-5-12(17)6-10/h3-6,11,13,17H,7-9H2,1-2H3,(H,15,18)/t11-,13-/m0/s1
InChIKeySFRQNUWRFYNBSM-AAEUAGOBSA-N
XLogP0.03
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135110943
3,4-dichloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135088948
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-hydroxy-2-methylbenzamide
CID 135103380
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-fluoro-3-methylbenzamide
CID 135099590
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-2-methylbenzamide
CID 135090735
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide
CID 135089086
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-indole-5-carboxamide
CID 135107605
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide
CID 163312504
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-benzothiazole-6-carboxamide
CID 135098112
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide
CID 135088303
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide (CID 135111757) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cccc(O)c1.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide?
The InChIKey is SFRQNUWRFYNBSM-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-16(2)22(19,20)9-11-7-21-8-13(11)15-14(18)10-4-3-5-12(17)6-10/h3-6,11,13,17H,7-9H2,1-2H3,(H,15,18)/t11-,13-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide has a molecular weight of 328.39 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide is sourced from PubChem (CID 135111757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).