2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride

C12H17ClN2O4S — CID 119922066

IUPAC2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)O)CC2.Cl
InChIInChI=1S/C12H16N2O4S.ClH/c1-13(2)19(17,18)10-4-3-9-5-6-14(8-12(15)16)11(9)7-10;/h3-4,7H,5-6,8H2,1-2H3,(H,15,16);1H
InChIKeyQKIWXVBNECYQEQ-UHFFFAOYSA-N
MW320.80 g/mol
LogP0.81
Rot. Bonds4

About 2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride

2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride (PubChem CID 119922066) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride
PubChem CID119922066
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)O)CC2.Cl
InChIInChI=1S/C12H16N2O4S.ClH/c1-13(2)19(17,18)10-4-3-9-5-6-14(8-12(15)16)11(9)7-10;/h3-4,7H,5-6,8H2,1-2H3,(H,15,16);1H
InChIKeyQKIWXVBNECYQEQ-UHFFFAOYSA-N
XLogP0.81
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride
CID 119922985
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid
CID 121204232
1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785912
1-(1-aminocyclopentanecarbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119324921
1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120932755
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 83753824
N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 56805828
N,N-dimethyl-1-(morpholine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785866
N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide
CID 86956997
N,N-dimethyl-1-(morpholine-2-carbonyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785904
1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 154797051

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride (CID 119922066) is 2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride is CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)O)CC2.Cl.
What is the InChIKey of 2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride?
The InChIKey is QKIWXVBNECYQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S.ClH/c1-13(2)19(17,18)10-4-3-9-5-6-14(8-12(15)16)11(9)7-10;/h3-4,7H,5-6,8H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride?
2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride has a molecular weight of 320.80 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 119922066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).