N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

C13H15NO3S2 — CID 61437625

IUPACN-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H15NO3S2/c1-2-14(10-12-4-3-9-18-12)19(16,17)13-7-5-11(15)6-8-13/h3-9,15H,2,10H2,1H3
InChIKeyXHLHJTIQVYENMA-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.66
Rot. Bonds5

About N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 61437625) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID61437625
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H15NO3S2/c1-2-14(10-12-4-3-9-18-12)19(16,17)13-7-5-11(15)6-8-13/h3-9,15H,2,10H2,1H3
InChIKeyXHLHJTIQVYENMA-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801727
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60656239
4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60951972
6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 115602484
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61438022
2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55870758
4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801560

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 61437625) is N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCN(Cc1cccs1)S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is XHLHJTIQVYENMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-2-14(10-12-4-3-9-18-12)19(16,17)13-7-5-11(15)6-8-13/h3-9,15H,2,10H2,1H3.
What are the key properties of N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61437625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).