N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide

C14H13Cl2NO3S — CID 81264913

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1Cl)c1cccc(O)c1
InChIInChI=1S/C14H13Cl2NO3S/c15-11-5-4-10(14(16)8-11)6-7-17-21(19,20)13-3-1-2-12(18)9-13/h1-5,8-9,17-18H,6-7H2
InChIKeyFFUGQKKKMGUIKD-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide (PubChem CID 81264913) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide
PubChem CID81264913
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1Cl)c1cccc(O)c1
InChIInChI=1S/C14H13Cl2NO3S/c15-11-5-4-10(14(16)8-11)6-7-17-21(19,20)13-3-1-2-12(18)9-13/h1-5,8-9,17-18H,6-7H2
InChIKeyFFUGQKKKMGUIKD-UHFFFAOYSA-N
XLogP3.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605350
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide
CID 26948560
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 18190650
5-chloro-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 113098447
N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3369728
N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 17419461
3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106340026
N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110789779
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979112
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide (CID 81264913) is N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide is O=S(=O)(NCCc1ccc(Cl)cc1Cl)c1cccc(O)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide?
The InChIKey is FFUGQKKKMGUIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c15-11-5-4-10(14(16)8-11)6-7-17-21(19,20)13-3-1-2-12(18)9-13/h1-5,8-9,17-18H,6-7H2.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 81264913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).