2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid

C10H11Cl2NO5S — CID 43499058

IUPAC2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid
SMILESCC(O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C10H11Cl2NO5S/c1-5(14)4-13-19(17,18)7-3-2-6(11)8(9(7)12)10(15)16/h2-3,5,13-14H,4H2,1H3,(H,15,16)
InChIKeyOBRCKUDXLNAEAR-UHFFFAOYSA-N
MW328.17 g/mol
LogP1.35
Rot. Bonds5

About 2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid

2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid (PubChem CID 43499058) has the molecular formula C10H11Cl2NO5S and a molecular weight of 328.17 g/mol. Its IUPAC name is 2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid
PubChem CID43499058
Molecular FormulaC10H11Cl2NO5S
Molecular Weight328.17 g/mol
Exact Mass326.97
IUPAC Name2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid
SMILESCC(O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C10H11Cl2NO5S/c1-5(14)4-13-19(17,18)7-3-2-6(11)8(9(7)12)10(15)16/h2-3,5,13-14H,4H2,1H3,(H,15,16)
InChIKeyOBRCKUDXLNAEAR-UHFFFAOYSA-N
XLogP1.35
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-3-(2-cyanopropylsulfamoyl)benzoic acid
CID 62668420
2,6-dichloro-3-(2-hydroxypropylsulfonyl)benzoic acid
CID 65277506
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
2,6-dichloro-3-(pentan-3-ylsulfamoyl)benzoic acid
CID 29030781
3-(tert-butylsulfamoyl)-2,6-dichlorobenzoic acid
CID 16771513
2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 61066776
2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid
CID 107316637
2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
CID 25252490
2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid
CID 43317193
3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid
CID 61218847
2,6-dichloro-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43140748
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid?
The IUPAC name of 2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid (CID 43499058) is 2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid?
The canonical SMILES for 2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid is CC(O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl.
What is the InChIKey of 2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid?
The InChIKey is OBRCKUDXLNAEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO5S/c1-5(14)4-13-19(17,18)7-3-2-6(11)8(9(7)12)10(15)16/h2-3,5,13-14H,4H2,1H3,(H,15,16).
What are the key properties of 2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid?
2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid has a molecular weight of 328.17 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid is sourced from PubChem (CID 43499058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).