3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid

C12H18N2O5S — CID 2392364

IUPAC3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C12H18N2O5S/c1-14(2)7-6-13-20(17,18)11-8-9(12(15)16)4-5-10(11)19-3/h4-5,8,13H,6-7H2,1-3H3,(H,15,16)
InChIKeyWPBKAZMLTNYKBR-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.23
Rot. Bonds7

About 3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid

3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid (PubChem CID 2392364) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid
PubChem CID2392364
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C12H18N2O5S/c1-14(2)7-6-13-20(17,18)11-8-9(12(15)16)4-5-10(11)19-3/h4-5,8,13H,6-7H2,1-3H3,(H,15,16)
InChIKeyWPBKAZMLTNYKBR-UHFFFAOYSA-N
XLogP0.23
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-3-[(propan-2-yl)sulfamoyl]benzoic acid
CID 2119871
4-Methoxy-3-sulfamoylbenzoic acid
CID 2492699
3-(Dimethylsulfamoyl)-4-methoxybenzoic acid
CID 2492687
4-Methoxy-3-(methylsulfamoyl)benzoic acid
CID 2492720
3-(Tert-butylsulfamoyl)-4-methoxybenzoic acid
CID 4464061
4-Methoxy-3-(4-thiomorpholinylsulfonyl)benzoic acid
CID 6462652
3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid
CID 757123
4-Methoxy-3-(morpholine-4-sulfonyl)benzoic acid
CID 767913
4-Methoxy-3-{[3-(2-oxopyrrolidin-1-yl)propyl]sulfamoyl}benzoic acid
CID 2378290
3-[4-(2-Methoxy-5-methyl-benzenesulfonyl)-piperazine-1-sulfonyl]-4-methyl-benzoic acid
CID 6486845
3-(Diethylsulfamoyl)-4-methoxybenzoic acid
CID 794499
4-Methoxy-3-[(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119869

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid (CID 2392364) is 3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)NCCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid?
The InChIKey is WPBKAZMLTNYKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-14(2)7-6-13-20(17,18)11-8-9(12(15)16)4-5-10(11)19-3/h4-5,8,13H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid?
3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid has a molecular weight of 302.35 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid is sourced from PubChem (CID 2392364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).