1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid

C14H15N3O4S — CID 167849495

IUPAC1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid
SMILESCn1nccc1S(=O)(=O)NC1(C(=O)O)CCc2ccccc21
InChIInChI=1S/C14H15N3O4S/c1-17-12(7-9-15-17)22(20,21)16-14(13(18)19)8-6-10-4-2-3-5-11(10)14/h2-5,7,9,16H,6,8H2,1H3,(H,18,19)
InChIKeyDLWLWUJQJASQON-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.62
Rot. Bonds4

About 1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid

1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid (PubChem CID 167849495) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid
PubChem CID167849495
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid
SMILESCn1nccc1S(=O)(=O)NC1(C(=O)O)CCc2ccccc21
InChIInChI=1S/C14H15N3O4S/c1-17-12(7-9-15-17)22(20,21)16-14(13(18)19)8-6-10-4-2-3-5-11(10)14/h2-5,7,9,16H,6,8H2,1H3,(H,18,19)
InChIKeyDLWLWUJQJASQON-UHFFFAOYSA-N
XLogP0.62
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 136531709
2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid
CID 104709642
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 104710131
1-anilino-2,3-dihydroindene-1-carboxylic acid
CID 12740130
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-sulfonamide
CID 104773010
4-methyl-1-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 104709737
N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide
CID 104710572
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
(2-methylpyrazol-3-yl)-[(1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-yl]methanone
CID 124737196
1-[(5-formylthiophen-2-yl)methylamino]-2,3-dihydroindene-1-carboxylic acid
CID 145320839
1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
CID 61001988
2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid (CID 167849495) is 1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid is Cn1nccc1S(=O)(=O)NC1(C(=O)O)CCc2ccccc21.
What is the InChIKey of 1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is DLWLWUJQJASQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-17-12(7-9-15-17)22(20,21)16-14(13(18)19)8-6-10-4-2-3-5-11(10)14/h2-5,7,9,16H,6,8H2,1H3,(H,18,19).
What are the key properties of 1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid?
1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 321.36 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 167849495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).