N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide

C17H17NO3S2 — CID 90496859

IUPACN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO3S2/c1-12-8-9-22-17(12)16(19)11-18-23(20,21)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,16,18-19H,11H2,1H3
InChIKeyRJBAAIMMHYYLAS-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.22
Rot. Bonds5

About N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide (PubChem CID 90496859) has the molecular formula C17H17NO3S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide
PubChem CID90496859
Molecular FormulaC17H17NO3S2
Molecular Weight347.46 g/mol
Exact Mass347.06
IUPAC NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO3S2/c1-12-8-9-22-17(12)16(19)11-18-23(20,21)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,16,18-19H,11H2,1H3
InChIKeyRJBAAIMMHYYLAS-UHFFFAOYSA-N
XLogP3.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90496827
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 90496874
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 71781699
N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide
CID 103836737
2,6-difluoro-N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 95367028
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 95367034
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 95367046
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide
CID 110443097
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide (CID 90496859) is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide is Cc1ccsc1C(O)CNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide?
The InChIKey is RJBAAIMMHYYLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S2/c1-12-8-9-22-17(12)16(19)11-18-23(20,21)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,16,18-19H,11H2,1H3.
What are the key properties of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide?
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 347.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 90496859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).