N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide

C10H15NO3S2 — CID 71688879

IUPACN-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide
SMILESCSCc1cccc(S(=O)(=O)NCCO)c1
InChIInChI=1S/C10H15NO3S2/c1-15-8-9-3-2-4-10(7-9)16(13,14)11-5-6-12/h2-4,7,11-12H,5-6,8H2,1H3
InChIKeyCWBZRMHQBHZAJS-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.82
Rot. Bonds6

About N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide

N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide (PubChem CID 71688879) has the molecular formula C10H15NO3S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide
PubChem CID71688879
Molecular FormulaC10H15NO3S2
Molecular Weight261.37 g/mol
Exact Mass261.05
IUPAC NameN-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide
SMILESCSCc1cccc(S(=O)(=O)NCCO)c1
InChIInChI=1S/C10H15NO3S2/c1-15-8-9-3-2-4-10(7-9)16(13,14)11-5-6-12/h2-4,7,11-12H,5-6,8H2,1H3
InChIKeyCWBZRMHQBHZAJS-UHFFFAOYSA-N
XLogP0.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide (CID 71688879) is N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide is CSCc1cccc(S(=O)(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide?
The InChIKey is CWBZRMHQBHZAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S2/c1-15-8-9-3-2-4-10(7-9)16(13,14)11-5-6-12/h2-4,7,11-12H,5-6,8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide?
N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide has a molecular weight of 261.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide is sourced from PubChem (CID 71688879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).