methyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate

C19H20N2O4S — CID 177175403

IUPACmethyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(c2cc(NS(=O)(=O)C3CC3)ccn2)Cc2ccccc2C1
InChIInChI=1S/C19H20N2O4S/c1-25-18(22)19(11-13-4-2-3-5-14(13)12-19)17-10-15(8-9-20-17)21-26(23,24)16-6-7-16/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,20,21)
InChIKeyZEDHNLRREJIVDN-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.20
Rot. Bonds5

About methyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate

methyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate (PubChem CID 177175403) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is methyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate
PubChem CID177175403
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Namemethyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(c2cc(NS(=O)(=O)C3CC3)ccn2)Cc2ccccc2C1
InChIInChI=1S/C19H20N2O4S/c1-25-18(22)19(11-13-4-2-3-5-14(13)12-19)17-10-15(8-9-20-17)21-26(23,24)16-6-7-16/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,20,21)
InChIKeyZEDHNLRREJIVDN-UHFFFAOYSA-N
XLogP2.20
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide
CID 177175615
methyl 3-[6-(cyclopropylsulfonylamino)pyrimidin-4-yl]-8-oxabicyclo[3.2.1]octane-3-carboxylate
CID 177175585
methyl 4-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]oxane-4-carboxylate
CID 139519434
N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide
CID 177175438
methyl 2-(3-bromoanilino)-1,3-dihydroindene-2-carboxylate
CID 60993146
N-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride
CID 140742799
N-[3-[(1R,5S)-6-ethyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
CID 122552741
N-(3-chlorophenyl)cyclopropanesulfonamide
CID 45497298
N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
CID 163271946
N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271317
N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide
CID 174799070
N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide
CID 112739564

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate (CID 177175403) is methyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate is COC(=O)C1(c2cc(NS(=O)(=O)C3CC3)ccn2)Cc2ccccc2C1.
What is the InChIKey of methyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate?
The InChIKey is ZEDHNLRREJIVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-25-18(22)19(11-13-4-2-3-5-14(13)12-19)17-10-15(8-9-20-17)21-26(23,24)16-6-7-16/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,20,21).
What are the key properties of methyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate?
methyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate has a molecular weight of 372.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 177175403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).