3-(dimethylsulfamoylamino)-4-propoxybenzoic acid

C12H18N2O5S — CID 110504303

IUPAC3-(dimethylsulfamoylamino)-4-propoxybenzoic acid
SMILESCCCOc1ccc(C(=O)O)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C12H18N2O5S/c1-4-7-19-11-6-5-9(12(15)16)8-10(11)13-20(17,18)14(2)3/h5-6,8,13H,4,7H2,1-3H3,(H,15,16)
InChIKeyZPKCCDDSCFOTNA-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.39
Rot. Bonds7

About 3-(dimethylsulfamoylamino)-4-propoxybenzoic acid

3-(dimethylsulfamoylamino)-4-propoxybenzoic acid (PubChem CID 110504303) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-4-propoxybenzoic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-4-propoxybenzoic acid
PubChem CID110504303
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name3-(dimethylsulfamoylamino)-4-propoxybenzoic acid
SMILESCCCOc1ccc(C(=O)O)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C12H18N2O5S/c1-4-7-19-11-6-5-9(12(15)16)8-10(11)13-20(17,18)14(2)3/h5-6,8,13H,4,7H2,1-3H3,(H,15,16)
InChIKeyZPKCCDDSCFOTNA-UHFFFAOYSA-N
XLogP1.39
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methanesulfonamido)-4-propoxybenzoic acid
CID 110504278
3-[(2-chlorophenyl)sulfonylamino]-4-propoxybenzoic acid
CID 110504298
3-(dimethylsulfamoylamino)-4-methylbenzoic acid
CID 28788003
3-[[butyl(methyl)sulfamoyl]amino]-4-methoxybenzoic acid
CID 63742420
3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid
CID 174756826
4-(2-bromoacetyl)-2-(dimethylsulfamoylamino)-1-phenylmethoxybenzene
CID 18615102
4-iodo-3-propoxybenzoic acid
CID 68960644
4-(dimethylsulfamoylamino)-3-methylbenzoic acid
CID 28787969
3-[(3-cyanobenzoyl)amino]-4-propoxybenzoic acid
CID 110493770
2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine
CID 54319481
4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid
CID 110493768
3-propoxy-4-(trifluoromethoxy)benzoic acid
CID 170682125

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-4-propoxybenzoic acid?
The IUPAC name of 3-(dimethylsulfamoylamino)-4-propoxybenzoic acid (CID 110504303) is 3-(dimethylsulfamoylamino)-4-propoxybenzoic acid.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-4-propoxybenzoic acid?
The canonical SMILES for 3-(dimethylsulfamoylamino)-4-propoxybenzoic acid is CCCOc1ccc(C(=O)O)cc1NS(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoylamino)-4-propoxybenzoic acid?
The InChIKey is ZPKCCDDSCFOTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-4-7-19-11-6-5-9(12(15)16)8-10(11)13-20(17,18)14(2)3/h5-6,8,13H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 3-(dimethylsulfamoylamino)-4-propoxybenzoic acid?
3-(dimethylsulfamoylamino)-4-propoxybenzoic acid has a molecular weight of 302.35 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-4-propoxybenzoic acid is sourced from PubChem (CID 110504303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).