2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride

C14H19ClN2O4S — CID 119922985

IUPAC2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCc2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C14H18N2O4S.ClH/c17-14(18)10-15-8-5-11-3-4-12(9-13(11)15)21(19,20)16-6-1-2-7-16;/h3-4,9H,1-2,5-8,10H2,(H,17,18);1H
InChIKeyDQWFQBUDFPLSQA-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.34
Rot. Bonds4

About 2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride

2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride (PubChem CID 119922985) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride
PubChem CID119922985
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCc2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C14H18N2O4S.ClH/c17-14(18)10-15-8-5-11-3-4-12(9-13(11)15)21(19,20)16-6-1-2-7-16;/h3-4,9H,1-2,5-8,10H2,(H,17,18);1H
InChIKeyDQWFQBUDFPLSQA-UHFFFAOYSA-N
XLogP1.34
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride
CID 119922066
2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetamide
CID 31873783
2-(2,3-dihydroindol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783327
2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4784422
[3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752180
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 83753824
2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid
CID 20888287
2-bromo-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 796412
2-phenyl-1-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110644452
3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol
CID 75451922
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 3672745

Frequently Asked Questions

What is the IUPAC name of 2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride (CID 119922985) is 2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride is Cl.O=C(O)CN1CCc2ccc(S(=O)(=O)N3CCCC3)cc21.
What is the InChIKey of 2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride?
The InChIKey is DQWFQBUDFPLSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S.ClH/c17-14(18)10-15-8-5-11-3-4-12(9-13(11)15)21(19,20)16-6-1-2-7-16;/h3-4,9H,1-2,5-8,10H2,(H,17,18);1H.
What are the key properties of 2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride?
2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride has a molecular weight of 346.84 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 119922985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).