5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide

C11H17NO5S — CID 68834194

IUPAC5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(O)cc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C11H17NO5S/c1-9-2-3-10(15)8-11(9)18(16,17)12(4-6-13)5-7-14/h2-3,8,13-15H,4-7H2,1H3
InChIKeyCRVXFQBKRYVNNV-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.32
Rot. Bonds6

About 5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide

5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide (PubChem CID 68834194) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide
PubChem CID68834194
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(O)cc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C11H17NO5S/c1-9-2-3-10(15)8-11(9)18(16,17)12(4-6-13)5-7-14/h2-3,8,13-15H,4-7H2,1H3
InChIKeyCRVXFQBKRYVNNV-UHFFFAOYSA-N
XLogP-0.32
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide (CID 68834194) is 5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide is Cc1ccc(O)cc1S(=O)(=O)N(CCO)CCO.
What is the InChIKey of 5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The InChIKey is CRVXFQBKRYVNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c1-9-2-3-10(15)8-11(9)18(16,17)12(4-6-13)5-7-14/h2-3,8,13-15H,4-7H2,1H3.
What are the key properties of 5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide?
5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide has a molecular weight of 275.33 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N,N-bis(2-hydroxyethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 68834194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).