N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide

C14H13Cl2NO3S — CID 43507327

IUPACN-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H13Cl2NO3S/c1-9(18)10-3-2-4-12(7-10)21(19,20)17-14-6-5-11(15)8-13(14)16/h2-9,17-18H,1H3
InChIKeyXPFSNLKSXYHJSI-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.85
Rot. Bonds4

About N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide

N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 43507327) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
PubChem CID43507327
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC NameN-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H13Cl2NO3S/c1-9(18)10-3-2-4-12(7-10)21(19,20)17-14-6-5-11(15)8-13(14)16/h2-9,17-18H,1H3
InChIKeyXPFSNLKSXYHJSI-UHFFFAOYSA-N
XLogP3.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507509
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507543
3-(1-hydroxyethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 42946409
3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide
CID 43507196
N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107629533
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 66354403
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 64787368
N-(4-chloro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 81433189
N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107464429

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide (CID 43507327) is N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide is CC(O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is XPFSNLKSXYHJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c1-9(18)10-3-2-4-12(7-10)21(19,20)17-14-6-5-11(15)8-13(14)16/h2-9,17-18H,1H3.
What are the key properties of N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide?
N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43507327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).