4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid

C15H21NO6S — CID 95153822

IUPAC4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCCOC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H21NO6S/c17-15(18)12-4-6-14(7-5-12)23(19,20)16-8-2-9-21-11-13-3-1-10-22-13/h4-7,13,16H,1-3,8-11H2,(H,17,18)/t13-/m1/s1
InChIKeyNEEXYDHSCYSGTL-CYBMUJFWSA-N
MW343.40 g/mol
LogP1.25
Rot. Bonds9

About 4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid

4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid (PubChem CID 95153822) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
PubChem CID95153822
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Name4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCCOC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H21NO6S/c17-15(18)12-4-6-14(7-5-12)23(19,20)16-8-2-9-21-11-13-3-1-10-22-13/h4-7,13,16H,1-3,8-11H2,(H,17,18)/t13-/m1/s1
InChIKeyNEEXYDHSCYSGTL-CYBMUJFWSA-N
XLogP1.25
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 24511255
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-[3-(oxolan-2-ylmethoxy)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 24511253
3-N-[3-(oxolan-2-ylmethoxy)propyl]benzene-1,3-disulfonamide
CID 55512529
2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide
CID 24511243
2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide
CID 32955601
4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid
CID 43532303
2-[[(2S)-oxolan-2-yl]methylamino]-5-(3-propan-2-yloxypropylsulfamoyl)benzoic acid
CID 99986124
ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
CID 94814688
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid
CID 61039961
4-[[(2R)-oxolan-2-yl]methylamino]-3-(3-propan-2-yloxypropylsulfamoyl)benzoic acid
CID 99980386

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid?
The IUPAC name of 4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid (CID 95153822) is 4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid?
The canonical SMILES for 4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)NCCCOC[C@H]2CCCO2)cc1.
What is the InChIKey of 4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid?
The InChIKey is NEEXYDHSCYSGTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO6S/c17-15(18)12-4-6-14(7-5-12)23(19,20)16-8-2-9-21-11-13-3-1-10-22-13/h4-7,13,16H,1-3,8-11H2,(H,17,18)/t13-/m1/s1.
What are the key properties of 4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid?
4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid has a molecular weight of 343.40 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid is sourced from PubChem (CID 95153822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).