5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid

C12H18N2O4S — CID 60702313

IUPAC5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
SMILESCC(C)Nc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-8(2)13-11-6-5-9(7-10(11)12(15)16)19(17,18)14(3)4/h5-8,13H,1-4H3,(H,15,16)
InChIKeyFFRLMPHUGGNQFS-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.46
Rot. Bonds5

About 5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid

5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid (PubChem CID 60702313) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
PubChem CID60702313
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
SMILESCC(C)Nc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-8(2)13-11-6-5-9(7-10(11)12(15)16)19(17,18)14(3)4/h5-8,13H,1-4H3,(H,15,16)
InChIKeyFFRLMPHUGGNQFS-UHFFFAOYSA-N
XLogP1.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid
CID 60661669
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
5-(butylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
CID 99981853
5-methyl-2-(propan-2-ylamino)benzoic acid
CID 13064660
5-(dimethylsulfamoyl)-2-(2-ethoxyethylamino)benzoic acid
CID 60964537
5-(dimethylsulfamoyl)-2-(3-methoxypropylamino)benzoic acid
CID 60658564
5-(dimethylsulfamoyl)-2-ethylsulfanylbenzoic acid
CID 61379170
2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid
CID 53228824
2-(butan-2-ylamino)-5-sulfamoylbenzoic acid
CID 43088437
5-(dimethylsulfamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)benzoic acid
CID 66104601
2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide
CID 43545447
2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid
CID 154206653

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid?
The IUPAC name of 5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid (CID 60702313) is 5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid is CC(C)Nc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid?
The InChIKey is FFRLMPHUGGNQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(2)13-11-6-5-9(7-10(11)12(15)16)19(17,18)14(3)4/h5-8,13H,1-4H3,(H,15,16).
What are the key properties of 5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid?
5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid has a molecular weight of 286.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid is sourced from PubChem (CID 60702313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).