5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid

C18H28N2O4S — CID 99983217

IUPAC5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid
SMILESCC(C)CNc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O
InChIInChI=1S/C18H28N2O4S/c1-13(2)12-19-17-10-9-15(11-16(17)18(21)22)25(23,24)20-14-7-5-3-4-6-8-14/h9-11,13-14,19-20H,3-8,12H2,1-2H3,(H,21,22)
InChIKeyOFRQNYYFVQOIKY-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.45
Rot. Bonds7

About 5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid

5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid (PubChem CID 99983217) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid.

Molecular Properties

Compound Name5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid
PubChem CID99983217
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid
SMILESCC(C)CNc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O
InChIInChI=1S/C18H28N2O4S/c1-13(2)12-19-17-10-9-15(11-16(17)18(21)22)25(23,24)20-14-7-5-3-4-6-8-14/h9-11,13-14,19-20H,3-8,12H2,1-2H3,(H,21,22)
InChIKeyOFRQNYYFVQOIKY-UHFFFAOYSA-N
XLogP3.45
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylsulfamoyl)-2-(3-propan-2-yloxypropylamino)benzoic acid
CID 99983180
5-(cyclopentylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid
CID 99982970
5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99983158
5-(cycloheptylsulfamoyl)-2-(2-phenylethylamino)benzoic acid
CID 99983262
2-(butylamino)-5-(cyclopropylsulfamoyl)benzoic acid
CID 99982792
5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid
CID 99982225
5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99982875
2-(2-methylpropylamino)-5-(pentylsulfamoyl)benzoic acid
CID 99986187
2-(3-methylbutylamino)-5-(methylsulfamoyl)benzoic acid
CID 45319790
N-cyclohexyl-2-methyl-5-(2-methylpropylsulfamoyl)benzamide
CID 3877568
2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid
CID 99981604
5-(cyclohexylsulfamoyl)-2-methyl-N-[(2S)-2-phenylpropyl]benzamide
CID 9301857

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid?
The IUPAC name of 5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid (CID 99983217) is 5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid.
What is the SMILES notation for 5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid?
The canonical SMILES for 5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid is CC(C)CNc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O.
What is the InChIKey of 5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid?
The InChIKey is OFRQNYYFVQOIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-13(2)12-19-17-10-9-15(11-16(17)18(21)22)25(23,24)20-14-7-5-3-4-6-8-14/h9-11,13-14,19-20H,3-8,12H2,1-2H3,(H,21,22).
What are the key properties of 5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid?
5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid has a molecular weight of 368.50 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid is sourced from PubChem (CID 99983217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).