N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide

C13H15NO3S2 — CID 110663687

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide
SMILESCN(CC(O)c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H15NO3S2/c1-14(10-12(15)13-8-5-9-18-13)19(16,17)11-6-3-2-4-7-11/h2-9,12,15H,10H2,1H3
InChIKeyBTLONRNIMUZSEZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.10
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide (PubChem CID 110663687) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide
PubChem CID110663687
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide
SMILESCN(CC(O)c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H15NO3S2/c1-14(10-12(15)13-8-5-9-18-13)19(16,17)11-6-3-2-4-7-11/h2-9,12,15H,10H2,1H3
InChIKeyBTLONRNIMUZSEZ-UHFFFAOYSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110663726
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide
CID 110663722
(1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol
CID 94830635
N-(2-hydroxy-2-phenylethyl)-4-iodo-N-methylbenzenesulfonamide
CID 4982665
N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide
CID 102462473
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
CID 110663600
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439
N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide
CID 124638191
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide
CID 110663588

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide (CID 110663687) is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide is CN(CC(O)c1cccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide?
The InChIKey is BTLONRNIMUZSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-14(10-12(15)13-8-5-9-18-13)19(16,17)11-6-3-2-4-7-11/h2-9,12,15H,10H2,1H3.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 110663687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).