3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

C14H17NO3S2 — CID 43528546

IUPAC3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)N(C)Cc2ccsc2)c1
InChIInChI=1S/C14H17NO3S2/c1-11(16)13-4-3-5-14(8-13)20(17,18)15(2)9-12-6-7-19-10-12/h3-8,10-11,16H,9H2,1-2H3
InChIKeyXQPUGMMITDCOQY-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.62
Rot. Bonds5

About 3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 43528546) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID43528546
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)N(C)Cc2ccsc2)c1
InChIInChI=1S/C14H17NO3S2/c1-11(16)13-4-3-5-14(8-13)20(17,18)15(2)9-12-6-7-19-10-12/h3-8,10-11,16H,9H2,1-2H3
InChIKeyXQPUGMMITDCOQY-UHFFFAOYSA-N
XLogP2.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528520
N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507253
4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115329710
2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81241113
3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 66354403
N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421876
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528516
2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide
CID 43528240
4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528511
3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455972
N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879696
3-amino-4-fluoro-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115421234

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 43528546) is 3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is CC(O)c1cccc(S(=O)(=O)N(C)Cc2ccsc2)c1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is XQPUGMMITDCOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-11(16)13-4-3-5-14(8-13)20(17,18)15(2)9-12-6-7-19-10-12/h3-8,10-11,16H,9H2,1-2H3.
What are the key properties of 3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43528546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).