N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide

C15H19NO5S2 — CID 90496874

IUPACN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)c2sccc2C)cc1OC
InChIInChI=1S/C15H19NO5S2/c1-10-6-7-22-15(10)12(17)9-16-23(18,19)11-4-5-13(20-2)14(8-11)21-3/h4-8,12,16-17H,9H2,1-3H3
InChIKeyRZSXKXUUFQORCG-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.09
Rot. Bonds7

About N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 90496874) has the molecular formula C15H19NO5S2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID90496874
Molecular FormulaC15H19NO5S2
Molecular Weight357.45 g/mol
Exact Mass357.07
IUPAC NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)c2sccc2C)cc1OC
InChIInChI=1S/C15H19NO5S2/c1-10-6-7-22-15(10)12(17)9-16-23(18,19)11-4-5-13(20-2)14(8-11)21-3/h4-8,12,16-17H,9H2,1-3H3
InChIKeyRZSXKXUUFQORCG-UHFFFAOYSA-N
XLogP2.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 95367046
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 95967218
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide
CID 90496859
4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90496827
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 95367034
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 90613477
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302868
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dimethoxybenzenesulfonamide
CID 90534852
N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 103836926
3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide
CID 90500313
2,6-difluoro-N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 95367028

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (CID 90496874) is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(O)c2sccc2C)cc1OC.
What is the InChIKey of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is RZSXKXUUFQORCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S2/c1-10-6-7-22-15(10)12(17)9-16-23(18,19)11-4-5-13(20-2)14(8-11)21-3/h4-8,12,16-17H,9H2,1-3H3.
What are the key properties of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 357.45 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 90496874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).