5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide

C15H16ClNO5S — CID 166396302

IUPAC5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide
SMILESCCOc1cc(CNS(=O)(=O)c2cc(Cl)ccc2O)ccc1O
InChIInChI=1S/C15H16ClNO5S/c1-2-22-14-7-10(3-5-12(14)18)9-17-23(20,21)15-8-11(16)4-6-13(15)19/h3-8,17-19H,2,9H2,1H3
InChIKeyOMCCMZXHSZHQJP-UHFFFAOYSA-N
MW357.82 g/mol
LogP2.63
Rot. Bonds6

About 5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide

5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide (PubChem CID 166396302) has the molecular formula C15H16ClNO5S and a molecular weight of 357.82 g/mol. Its IUPAC name is 5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide
PubChem CID166396302
Molecular FormulaC15H16ClNO5S
Molecular Weight357.82 g/mol
Exact Mass357.04
IUPAC Name5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide
SMILESCCOc1cc(CNS(=O)(=O)c2cc(Cl)ccc2O)ccc1O
InChIInChI=1S/C15H16ClNO5S/c1-2-22-14-7-10(3-5-12(14)18)9-17-23(20,21)15-8-11(16)4-6-13(15)19/h3-8,17-19H,2,9H2,1H3
InChIKeyOMCCMZXHSZHQJP-UHFFFAOYSA-N
XLogP2.63
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012
4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
CID 28514732
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 21227266
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-ethoxyphenol;oxalic acid
CID 163327411
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol
CID 66252251
2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide
CID 3832816
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide (CID 166396302) is 5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide is CCOc1cc(CNS(=O)(=O)c2cc(Cl)ccc2O)ccc1O.
What is the InChIKey of 5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide?
The InChIKey is OMCCMZXHSZHQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO5S/c1-2-22-14-7-10(3-5-12(14)18)9-17-23(20,21)15-8-11(16)4-6-13(15)19/h3-8,17-19H,2,9H2,1H3.
What are the key properties of 5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide?
5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide has a molecular weight of 357.82 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 166396302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).