N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide

C21H22N2O3S — CID 10287270

IUPACN-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NC[C@H](O)CN1Cc2ccccc2C1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O3S/c24-19(15-23-13-17-7-1-2-8-18(17)14-23)12-22-27(25,26)21-11-5-9-16-6-3-4-10-20(16)21/h1-11,19,22,24H,12-15H2/t19-/m0/s1
InChIKeyNKMPBVDIPLTADI-IBGZPJMESA-N
MW382.49 g/mol
LogP2.49
Rot. Bonds6

About N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide

N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide (PubChem CID 10287270) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
PubChem CID10287270
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NC[C@H](O)CN1Cc2ccccc2C1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O3S/c24-19(15-23-13-17-7-1-2-8-18(17)14-23)12-22-27(25,26)21-11-5-9-16-6-3-4-10-20(16)21/h1-11,19,22,24H,12-15H2/t19-/m0/s1
InChIKeyNKMPBVDIPLTADI-IBGZPJMESA-N
XLogP2.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 158430386
N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide
CID 10286805
N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide
CID 84589990
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide
CID 95367551
N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 142260025
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propane-1-sulfonamide
CID 111439886
N-[(2R)-3-(2-ethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 172709842
N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide
CID 115755317
N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide
CID 162364683
2-methyl-3-(naphthalen-1-ylsulfonylamino)propanethioamide
CID 114795498
N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide
CID 114795672
N-phenylnaphthalene-1-sulfonamide
CID 3816137

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide (CID 10287270) is N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide is O=S(=O)(NC[C@H](O)CN1Cc2ccccc2C1)c1cccc2ccccc12.
What is the InChIKey of N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide?
The InChIKey is NKMPBVDIPLTADI-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N2O3S/c24-19(15-23-13-17-7-1-2-8-18(17)14-23)12-22-27(25,26)21-11-5-9-16-6-3-4-10-20(16)21/h1-11,19,22,24H,12-15H2/t19-/m0/s1.
What are the key properties of N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide?
N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide has a molecular weight of 382.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 10287270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).