5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid

C15H20N2O5S — CID 99982875

IUPAC5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CC2)ccc1NC[C@@H]1CCCO1
InChIInChI=1S/C15H20N2O5S/c18-15(19)13-8-12(23(20,21)17-10-3-4-10)5-6-14(13)16-9-11-2-1-7-22-11/h5-6,8,10-11,16-17H,1-4,7,9H2,(H,18,19)/t11-/m0/s1
InChIKeyQDUANYSJYHMGET-NSHDSACASA-N
MW340.40 g/mol
LogP1.42
Rot. Bonds7

About 5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid

5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid (PubChem CID 99982875) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
PubChem CID99982875
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CC2)ccc1NC[C@@H]1CCCO1
InChIInChI=1S/C15H20N2O5S/c18-15(19)13-8-12(23(20,21)17-10-3-4-10)5-6-14(13)16-9-11-2-1-7-22-11/h5-6,8,10-11,16-17H,1-4,7,9H2,(H,18,19)/t11-/m0/s1
InChIKeyQDUANYSJYHMGET-NSHDSACASA-N
XLogP1.42
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99983158
5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid
CID 99986424
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
3-(cyclopentylsulfamoyl)-4-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99978317
2-[[(2S)-oxolan-2-yl]methylamino]-5-(3-propan-2-yloxypropylsulfamoyl)benzoic acid
CID 99986124
2-(tert-butylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985396
5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99983421
5-fluoro-2-(oxolan-2-ylmethylamino)benzoic acid
CID 63673824
N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 43454039
5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid
CID 99983217

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid?
The IUPAC name of 5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid (CID 99982875) is 5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid is O=C(O)c1cc(S(=O)(=O)NC2CC2)ccc1NC[C@@H]1CCCO1.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid?
The InChIKey is QDUANYSJYHMGET-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O5S/c18-15(19)13-8-12(23(20,21)17-10-3-4-10)5-6-14(13)16-9-11-2-1-7-22-11/h5-6,8,10-11,16-17H,1-4,7,9H2,(H,18,19)/t11-/m0/s1.
What are the key properties of 5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid?
5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid has a molecular weight of 340.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid is sourced from PubChem (CID 99982875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).