2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid

C18H20ClNO5S — CID 70371933

IUPAC2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)c1ccc(CCNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO5S/c19-15-2-1-3-16(12-15)26(24,25)20-10-8-13-4-6-14(7-5-13)17(9-11-21)18(22)23/h1-7,12,17,20-21H,8-11H2,(H,22,23)
InChIKeyXSRYLQIPYCSEHA-UHFFFAOYSA-N
MW397.88 g/mol
LogP2.41
Rot. Bonds9

About 2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid

2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid (PubChem CID 70371933) has the molecular formula C18H20ClNO5S and a molecular weight of 397.88 g/mol. Its IUPAC name is 2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid
PubChem CID70371933
Molecular FormulaC18H20ClNO5S
Molecular Weight397.88 g/mol
Exact Mass397.08
IUPAC Name2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)c1ccc(CCNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO5S/c19-15-2-1-3-16(12-15)26(24,25)20-10-8-13-4-6-14(7-5-13)17(9-11-21)18(22)23/h1-7,12,17,20-21H,8-11H2,(H,22,23)
InChIKeyXSRYLQIPYCSEHA-UHFFFAOYSA-N
XLogP2.41
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
CID 174539221
2-[4-[2-(benzenesulfonamido)ethyl]phenyl]-4-oxobutanoic acid
CID 88613840
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 30329371
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
3-chloro-N-[2-(4-nitrophenyl)ethyl]benzenesulfonamide
CID 110294516
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-chlorobenzenesulfonamide
CID 16890345
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
3-chloro-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605350
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 142625442
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid?
The IUPAC name of 2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid (CID 70371933) is 2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid is O=C(O)C(CCO)c1ccc(CCNS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid?
The InChIKey is XSRYLQIPYCSEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5S/c19-15-2-1-3-16(12-15)26(24,25)20-10-8-13-4-6-14(7-5-13)17(9-11-21)18(22)23/h1-7,12,17,20-21H,8-11H2,(H,22,23).
What are the key properties of 2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid?
2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid has a molecular weight of 397.88 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid is sourced from PubChem (CID 70371933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).