N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide

C17H17NO3S2 — CID 71787944

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCC(O)c1cccc2ccccc12)c1cccs1
InChIInChI=1S/C17H17NO3S2/c19-16(10-11-18-23(20,21)17-9-4-12-22-17)15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16,18-19H,10-11H2
InChIKeyPOQCAUSSMMEDAA-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.30
Rot. Bonds6

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide (PubChem CID 71787944) has the molecular formula C17H17NO3S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide
PubChem CID71787944
Molecular FormulaC17H17NO3S2
Molecular Weight347.46 g/mol
Exact Mass347.06
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCC(O)c1cccc2ccccc12)c1cccs1
InChIInChI=1S/C17H17NO3S2/c19-16(10-11-18-23(20,21)17-9-4-12-22-17)15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16,18-19H,10-11H2
InChIKeyPOQCAUSSMMEDAA-UHFFFAOYSA-N
XLogP3.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol
CID 86288599
(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol
CID 118675509
N-(3-hydroxy-3-(naphthalen-1-yl)propyl)-1-phenylmethanesulfonamide
CID 71787945
N-((5-(hydroxy(thiophen-3-yl)methyl)thiophen-2-yl)methyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 73167877
N-(3-hydroxy-3-(thiophen-3-yl)propyl)-2-phenylethanesulfonamide
CID 86264127
(S)-3-(5,6,7,8-tetrahydro-2-naphthylsulfonylamino)-1-(2-thienyl)-1-propanol
CID 96350533
(S)-3-(5,6,7,8-tetrahydro-2-naphthylsulfonylamino)-1-(3-thienyl)-1-propanol
CID 99981433
N-[(2R)-2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 129565024
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 91630881
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-2,6-difluorobenzenesulfonamide
CID 91630883
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100725760
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100725771

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide (CID 71787944) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide is O=S(=O)(NCCC(O)c1cccc2ccccc12)c1cccs1.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is POQCAUSSMMEDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S2/c19-16(10-11-18-23(20,21)17-9-4-12-22-17)15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16,18-19H,10-11H2.
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 347.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 71787944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).