3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide

C12H13NO3S2 — CID 66354403

IUPAC3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)Nc2ccsc2)c1
InChIInChI=1S/C12H13NO3S2/c1-9(14)10-3-2-4-12(7-10)18(15,16)13-11-5-6-17-8-11/h2-9,13-14H,1H3
InChIKeyWFACDLGOZSMLMD-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.60
Rot. Bonds4

About 3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide

3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 66354403) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide
PubChem CID66354403
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC Name3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)Nc2ccsc2)c1
InChIInChI=1S/C12H13NO3S2/c1-9(14)10-3-2-4-12(7-10)18(15,16)13-11-5-6-17-8-11/h2-9,13-14H,1H3
InChIKeyWFACDLGOZSMLMD-UHFFFAOYSA-N
XLogP2.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide
CID 43507196
3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62915619
N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 43508584
N-(2,3-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507509
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
3-(1-hydroxyethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 42946409
N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507327
3-(propylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070111
3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528546
N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507543
N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107629533
3-(1-hydroxyethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80743981

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide (CID 66354403) is 3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide is CC(O)c1cccc(S(=O)(=O)Nc2ccsc2)c1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is WFACDLGOZSMLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-9(14)10-3-2-4-12(7-10)18(15,16)13-11-5-6-17-8-11/h2-9,13-14H,1H3.
What are the key properties of 3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide?
3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 283.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 66354403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).