2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid

C14H20N2O4S — CID 60661669

IUPAC2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid
SMILESCC(Nc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O)C1CC1
InChIInChI=1S/C14H20N2O4S/c1-9(10-4-5-10)15-13-7-6-11(8-12(13)14(17)18)21(19,20)16(2)3/h6-10,15H,4-5H2,1-3H3,(H,17,18)
InChIKeySKIPTYRSWJRUAL-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.85
Rot. Bonds6

About 2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid

2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid (PubChem CID 60661669) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid
PubChem CID60661669
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid
SMILESCC(Nc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O)C1CC1
InChIInChI=1S/C14H20N2O4S/c1-9(10-4-5-10)15-13-7-6-11(8-12(13)14(17)18)21(19,20)16(2)3/h6-10,15H,4-5H2,1-3H3,(H,17,18)
InChIKeySKIPTYRSWJRUAL-UHFFFAOYSA-N
XLogP1.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
CID 60702313
5-amino-2-(1-cyclohexylethylamino)benzoic acid
CID 62407430
2-(1-cyclopropylethylamino)-4-methylbenzoic acid
CID 62711831
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid
CID 62696169
2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid
CID 61379309
6-(1-cyclobutylethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103850302
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
4-amino-3-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82898396
2-chloro-4-[1-cyclopropylethyl(methyl)sulfamoyl]benzoic acid
CID 104656448

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid?
The IUPAC name of 2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid (CID 60661669) is 2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid is CC(Nc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid?
The InChIKey is SKIPTYRSWJRUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9(10-4-5-10)15-13-7-6-11(8-12(13)14(17)18)21(19,20)16(2)3/h6-10,15H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid?
2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid has a molecular weight of 312.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid is sourced from PubChem (CID 60661669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).