N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide

C19H22ClNO3S — CID 70223409

IUPACN-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCc2cc(COc3ccccc3Cl)ccc21
InChIInChI=1S/C19H22ClNO3S/c1-13(2)25(22,23)21-18-10-8-15-11-14(7-9-16(15)18)12-24-19-6-4-3-5-17(19)20/h3-7,9,11,13,18,21H,8,10,12H2,1-2H3
InChIKeyFLIMPHAUBVQWBW-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.23
Rot. Bonds6

About N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide

N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide (PubChem CID 70223409) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
PubChem CID70223409
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC NameN-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCc2cc(COc3ccccc3Cl)ccc21
InChIInChI=1S/C19H22ClNO3S/c1-13(2)25(22,23)21-18-10-8-15-11-14(7-9-16(15)18)12-24-19-6-4-3-5-17(19)20/h3-7,9,11,13,18,21H,8,10,12H2,1-2H3
InChIKeyFLIMPHAUBVQWBW-UHFFFAOYSA-N
XLogP4.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
The IUPAC name of N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide (CID 70223409) is N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCc2cc(COc3ccccc3Cl)ccc21.
What is the InChIKey of N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
The InChIKey is FLIMPHAUBVQWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-13(2)25(22,23)21-18-10-8-15-11-14(7-9-16(15)18)12-24-19-6-4-3-5-17(19)20/h3-7,9,11,13,18,21H,8,10,12H2,1-2H3.
What are the key properties of N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide has a molecular weight of 379.91 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide is sourced from PubChem (CID 70223409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).