3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide

C12H18ClNO3S — CID 20670695

IUPAC3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide
SMILESCCc1cc(Cl)c(O)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C12H18ClNO3S/c1-4-9-7-10(13)12(15)11(8-9)18(16,17)14(5-2)6-3/h7-8,15H,4-6H2,1-3H3
InChIKeyAWWNUYBZSRXFKZ-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.64
Rot. Bonds5

About 3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide

3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide (PubChem CID 20670695) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide
PubChem CID20670695
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC Name3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide
SMILESCCc1cc(Cl)c(O)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C12H18ClNO3S/c1-4-9-7-10(13)12(15)11(8-9)18(16,17)14(5-2)6-3/h7-8,15H,4-6H2,1-3H3
InChIKeyAWWNUYBZSRXFKZ-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide?
The IUPAC name of 3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide (CID 20670695) is 3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide is CCc1cc(Cl)c(O)c(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of 3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide?
The InChIKey is AWWNUYBZSRXFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-4-9-7-10(13)12(15)11(8-9)18(16,17)14(5-2)6-3/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide?
3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N,5-triethyl-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 20670695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).