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

C18H26N2O5S — CID 99983158

IUPAC5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1NC[C@@H]1CCCO1
InChIInChI=1S/C18H26N2O5S/c21-18(22)16-11-15(26(23,24)20-13-5-2-1-3-6-13)8-9-17(16)19-12-14-7-4-10-25-14/h8-9,11,13-14,19-20H,1-7,10,12H2,(H,21,22)/t14-/m0/s1
InChIKeyKXVMMZMXCRRPNN-AWEZNQCLSA-N
MW382.48 g/mol
LogP2.59
Rot. Bonds7

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

5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid (PubChem CID 99983158) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid.

Molecular Properties

Compound Name5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
PubChem CID99983158
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1NC[C@@H]1CCCO1
InChIInChI=1S/C18H26N2O5S/c21-18(22)16-11-15(26(23,24)20-13-5-2-1-3-6-13)8-9-17(16)19-12-14-7-4-10-25-14/h8-9,11,13-14,19-20H,1-7,10,12H2,(H,21,22)/t14-/m0/s1
InChIKeyKXVMMZMXCRRPNN-AWEZNQCLSA-N
XLogP2.59
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99982875
3-(cyclopentylsulfamoyl)-4-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99978317
5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid
CID 99983217
2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid
CID 99984746
5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid
CID 99986424
2-(ethylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99988830
2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133167657
5-(cyclopentylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid
CID 99982970
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-(cycloheptylsulfamoyl)-2-(2-phenylethylamino)benzoic acid
CID 99983262
5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99983421

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid?
The IUPAC name of 5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid (CID 99983158) is 5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid.
What is the SMILES notation for 5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid?
The canonical SMILES for 5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid is O=C(O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1NC[C@@H]1CCCO1.
What is the InChIKey of 5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid?
The InChIKey is KXVMMZMXCRRPNN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O5S/c21-18(22)16-11-15(26(23,24)20-13-5-2-1-3-6-13)8-9-17(16)19-12-14-7-4-10-25-14/h8-9,11,13-14,19-20H,1-7,10,12H2,(H,21,22)/t14-/m0/s1.
What are the key properties of 5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid?
5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid has a molecular weight of 382.48 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid is sourced from PubChem (CID 99983158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).