2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide

C11H17NO5S — CID 67865107

IUPAC2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CCO)CCO)c1O
InChIInChI=1S/C11H17NO5S/c1-9-3-2-4-10(11(9)15)18(16,17)12(5-7-13)6-8-14/h2-4,13-15H,5-8H2,1H3
InChIKeyLXOSOGNDHPPLAE-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.32
Rot. Bonds6

About 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide

2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide (PubChem CID 67865107) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide
PubChem CID67865107
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CCO)CCO)c1O
InChIInChI=1S/C11H17NO5S/c1-9-3-2-4-10(11(9)15)18(16,17)12(5-7-13)6-8-14/h2-4,13-15H,5-8H2,1H3
InChIKeyLXOSOGNDHPPLAE-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 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide (CID 67865107) is 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(CCO)CCO)c1O.
What is the InChIKey of 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The InChIKey is LXOSOGNDHPPLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c1-9-3-2-4-10(11(9)15)18(16,17)12(5-7-13)6-8-14/h2-4,13-15H,5-8H2,1H3.
What are the key properties of 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide?
2-hydroxy-N,N-bis(2-hydroxyethyl)-3-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 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 67865107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).