4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid

C17H20N2O6S — CID 99979922

IUPAC4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(NCc2ccco2)c(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C17H20N2O6S/c20-17(21)12-5-6-15(18-10-13-3-1-7-24-13)16(9-12)26(22,23)19-11-14-4-2-8-25-14/h1,3,5-7,9,14,18-19H,2,4,8,10-11H2,(H,20,21)/t14-/m1/s1
InChIKeyUXQXNKJODDIJHE-CQSZACIVSA-N
MW380.42 g/mol
LogP2.05
Rot. Bonds8

About 4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid

4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid (PubChem CID 99979922) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
PubChem CID99979922
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(NCc2ccco2)c(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C17H20N2O6S/c20-17(21)12-5-6-15(18-10-13-3-1-7-24-13)16(9-12)26(22,23)19-11-14-4-2-8-25-14/h1,3,5-7,9,14,18-19H,2,4,8,10-11H2,(H,20,21)/t14-/m1/s1
InChIKeyUXQXNKJODDIJHE-CQSZACIVSA-N
XLogP2.05
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid with MolForge

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Related Compounds

2-(furan-2-ylmethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133144397
4-(methylamino)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99988466
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-(pentylamino)benzoic acid
CID 99979972
3-(oxolan-2-ylmethylsulfamoyl)-4-(pentylamino)benzoic acid
CID 133255526
4-(2-methoxyethylamino)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99979861
3-(cyclopentylsulfamoyl)-4-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99978317
3-(furan-2-ylmethylsulfamoyl)-4-(propan-2-ylamino)benzoic acid
CID 99979635
3-(furan-2-ylmethylsulfamoyl)-4-(3-hydroxypropylamino)benzoic acid
CID 99979688
3-(furan-2-ylmethylsulfamoyl)-4-(2-methoxyethylamino)benzoic acid
CID 99979694
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-[[(2R)-oxolan-2-yl]methylamino]-3-(3-propan-2-yloxypropylsulfamoyl)benzoic acid
CID 99980386
4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 166196809

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid?
The IUPAC name of 4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid (CID 99979922) is 4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid?
The canonical SMILES for 4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid is O=C(O)c1ccc(NCc2ccco2)c(S(=O)(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of 4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid?
The InChIKey is UXQXNKJODDIJHE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O6S/c20-17(21)12-5-6-15(18-10-13-3-1-7-24-13)16(9-12)26(22,23)19-11-14-4-2-8-25-14/h1,3,5-7,9,14,18-19H,2,4,8,10-11H2,(H,20,21)/t14-/m1/s1.
What are the key properties of 4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid?
4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid has a molecular weight of 380.42 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid is sourced from PubChem (CID 99979922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).