5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid

C17H26N2O5S — CID 99986424

IUPAC5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid
SMILESCC(C)CCNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1
InChIInChI=1S/C17H26N2O5S/c1-12(2)7-8-19-25(22,23)14-5-6-16(15(10-14)17(20)21)18-11-13-4-3-9-24-13/h5-6,10,12-13,18-19H,3-4,7-9,11H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyIQXGMTQHGPYBIB-CYBMUJFWSA-N
MW370.47 g/mol
LogP2.30
Rot. Bonds9

About 5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid

5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid (PubChem CID 99986424) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid.

Molecular Properties

Compound Name5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid
PubChem CID99986424
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid
SMILESCC(C)CCNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1
InChIInChI=1S/C17H26N2O5S/c1-12(2)7-8-19-25(22,23)14-5-6-16(15(10-14)17(20)21)18-11-13-4-3-9-24-13/h5-6,10,12-13,18-19H,3-4,7-9,11H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyIQXGMTQHGPYBIB-CYBMUJFWSA-N
XLogP2.30
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid with MolForge

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Related Compounds

2-[[(2S)-oxolan-2-yl]methylamino]-5-(3-propan-2-yloxypropylsulfamoyl)benzoic acid
CID 99986124
2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid
CID 99984746
2-(ethylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99988830
2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133167657
5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99982875
5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99983421
2-[[(2S)-butan-2-yl]amino]-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985387
5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99983158
2-(tert-butylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985396
5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid
CID 99985657
2-(3-methoxypropylamino)-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985482
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid?
The IUPAC name of 5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid (CID 99986424) is 5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid.
What is the SMILES notation for 5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid?
The canonical SMILES for 5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid is CC(C)CCNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1.
What is the InChIKey of 5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid?
The InChIKey is IQXGMTQHGPYBIB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-12(2)7-8-19-25(22,23)14-5-6-16(15(10-14)17(20)21)18-11-13-4-3-9-24-13/h5-6,10,12-13,18-19H,3-4,7-9,11H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid?
5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid has a molecular weight of 370.47 g/mol, XLogP of 2.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid is sourced from PubChem (CID 99986424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).