N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride

C18H23ClN2O3S — CID 131729713

IUPACN-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(OCc3ccncc3)cc2C1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-13(2)24(21,22)20-17-9-15-3-4-18(11-16(15)10-17)23-12-14-5-7-19-8-6-14;/h3-8,11,13,17,20H,9-10,12H2,1-2H3;1H/t17-;/m0./s1
InChIKeyCRBXEWONEDMEKD-LMOVPXPDSA-N
MW382.91 g/mol
LogP2.88
Rot. Bonds6

About N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride

N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride (PubChem CID 131729713) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride
PubChem CID131729713
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC NameN-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(OCc3ccncc3)cc2C1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-13(2)24(21,22)20-17-9-15-3-4-18(11-16(15)10-17)23-12-14-5-7-19-8-6-14;/h3-8,11,13,17,20H,9-10,12H2,1-2H3;1H/t17-;/m0./s1
InChIKeyCRBXEWONEDMEKD-LMOVPXPDSA-N
XLogP2.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride with MolForge

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Related Compounds

N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 141275724
N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 88851219
N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
CID 11602149
N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11638501
N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide
CID 163973001
1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole
CID 118564551
N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11681775
7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 18973211
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole
CID 134597105
2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 25024474
N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine
CID 175168213

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride?
The IUPAC name of N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride (CID 131729713) is N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride is CC(C)S(=O)(=O)N[C@H]1Cc2ccc(OCc3ccncc3)cc2C1.Cl.
What is the InChIKey of N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride?
The InChIKey is CRBXEWONEDMEKD-LMOVPXPDSA-N. The full InChI is InChI=1S/C18H22N2O3S.ClH/c1-13(2)24(21,22)20-17-9-15-3-4-18(11-16(15)10-17)23-12-14-5-7-19-8-6-14;/h3-8,11,13,17,20H,9-10,12H2,1-2H3;1H/t17-;/m0./s1.
What are the key properties of N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride?
N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride has a molecular weight of 382.91 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride is sourced from PubChem (CID 131729713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).