3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide

C14H14ClNO3S — CID 61017413

IUPAC3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNO3S/c15-12-2-1-3-14(10-12)20(18,19)16-9-8-11-4-6-13(17)7-5-11/h1-7,10,16-17H,8-9H2
InChIKeyDZWKIDQXHIYALJ-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.57
Rot. Bonds5

About 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide

3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide (PubChem CID 61017413) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
PubChem CID61017413
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNO3S/c15-12-2-1-3-14(10-12)20(18,19)16-9-8-11-4-6-13(17)7-5-11/h1-7,10,16-17H,8-9H2
InChIKeyDZWKIDQXHIYALJ-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605350
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 30329371
3-chloro-N-[2-(4-nitrophenyl)ethyl]benzenesulfonamide
CID 110294516
3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
CID 174539221
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-chlorobenzenesulfonamide
CID 16890345
2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid
CID 70371933
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide
CID 81264913
3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 18190650

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide (CID 61017413) is 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(O)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is DZWKIDQXHIYALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c15-12-2-1-3-14(10-12)20(18,19)16-9-8-11-4-6-13(17)7-5-11/h1-7,10,16-17H,8-9H2.
What are the key properties of 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61017413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).