N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide

C13H15NO3S2 — CID 139687321

IUPACN-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(CO)c1)c1ccccc1
InChIInChI=1S/C13H15NO3S2/c15-9-12-8-11(10-18-12)6-7-14-19(16,17)13-4-2-1-3-5-13/h1-5,8,10,14-15H,6-7,9H2
InChIKeyCUBVWRZMANFNSX-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.76
Rot. Bonds6

About N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide

N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide (PubChem CID 139687321) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide
PubChem CID139687321
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(CO)c1)c1ccccc1
InChIInChI=1S/C13H15NO3S2/c15-9-12-8-11(10-18-12)6-7-14-19(16,17)13-4-2-1-3-5-13/h1-5,8,10,14-15H,6-7,9H2
InChIKeyCUBVWRZMANFNSX-UHFFFAOYSA-N
XLogP1.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide
CID 110789741
N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide
CID 90129375
N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide
CID 90765616
2-[4-[2-(benzenesulfonamido)ethyl]phenyl]acetamide
CID 54332606
2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374307
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
[3-(2-phenylethylsulfamoyl)phenyl]boronic acid
CID 86039072
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762
N-[4-[5-(pyridine-3-carbonyl)thiophen-3-yl]butyl]benzenesulfonamide
CID 139687307
3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
CID 100656698
4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide (CID 139687321) is N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1csc(CO)c1)c1ccccc1.
What is the InChIKey of N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide?
The InChIKey is CUBVWRZMANFNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c15-9-12-8-11(10-18-12)6-7-14-19(16,17)13-4-2-1-3-5-13/h1-5,8,10,14-15H,6-7,9H2.
What are the key properties of N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide?
N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 139687321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).