N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide

C17H18ClNO4S — CID 70101066

IUPACN-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(CCCS(=O)(=O)c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C17H18ClNO4S/c1-12(20)19-16-11-13(4-9-17(16)21)3-2-10-24(22,23)15-7-5-14(18)6-8-15/h4-9,11,21H,2-3,10H2,1H3,(H,19,20)
InChIKeyWOOOOEBWZIWNGJ-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.41
Rot. Bonds6

About N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide

N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide (PubChem CID 70101066) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide
PubChem CID70101066
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC NameN-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(CCCS(=O)(=O)c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C17H18ClNO4S/c1-12(20)19-16-11-13(4-9-17(16)21)3-2-10-24(22,23)15-7-5-14(18)6-8-15/h4-9,11,21H,2-3,10H2,1H3,(H,19,20)
InChIKeyWOOOOEBWZIWNGJ-UHFFFAOYSA-N
XLogP3.41
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetyl-3-hydroxy-2-propylphenoxy)-N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide
CID 54217682
2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid
CID 15612083
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]benzamide
CID 19611460
3-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethoxy]-N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]benzamide
CID 19611454
N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide
CID 56581213
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 2477289
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
5-[3-(4-chlorophenyl)sulfonylpropoxy]-2-hydroxybenzoic acid
CID 54039656
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide
CID 55464247
5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide?
The IUPAC name of N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide (CID 70101066) is N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide?
The canonical SMILES for N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide is CC(=O)Nc1cc(CCCS(=O)(=O)c2ccc(Cl)cc2)ccc1O.
What is the InChIKey of N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide?
The InChIKey is WOOOOEBWZIWNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-12(20)19-16-11-13(4-9-17(16)21)3-2-10-24(22,23)15-7-5-14(18)6-8-15/h4-9,11,21H,2-3,10H2,1H3,(H,19,20).
What are the key properties of N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide?
N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide has a molecular weight of 367.85 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide is sourced from PubChem (CID 70101066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).