2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid

C21H18ClNO5S — CID 67621095

IUPAC2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid
SMILESO=C(O)COc1cc(Cl)cc(NS(=O)(=O)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C21H18ClNO5S/c22-17-11-18(13-19(12-17)28-14-21(24)25)23-29(26,27)20-9-5-4-8-16(20)10-15-6-2-1-3-7-15/h1-9,11-13,23H,10,14H2,(H,24,25)
InChIKeyZWYQLASGVVSDIK-UHFFFAOYSA-N
MW431.90 g/mol
LogP4.20
Rot. Bonds8

About 2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid

2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid (PubChem CID 67621095) has the molecular formula C21H18ClNO5S and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid
PubChem CID67621095
Molecular FormulaC21H18ClNO5S
Molecular Weight431.90 g/mol
Exact Mass431.06
IUPAC Name2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid
SMILESO=C(O)COc1cc(Cl)cc(NS(=O)(=O)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C21H18ClNO5S/c22-17-11-18(13-19(12-17)28-14-21(24)25)23-29(26,27)20-9-5-4-8-16(20)10-15-6-2-1-3-7-15/h1-9,11-13,23H,10,14H2,(H,24,25)
InChIKeyZWYQLASGVVSDIK-UHFFFAOYSA-N
XLogP4.20
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid
CID 70066284
2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide
CID 67619034
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772
1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62033281
2-(aminomethyl)-N-(3-chlorophenyl)benzenesulfonamide
CID 106060498
2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid
CID 23061993
2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 70117489
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532986
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334993
2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618
2-(3-chloro-5-fluorophenoxy)acetic acid
CID 23273755
2-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369229

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid?
The IUPAC name of 2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid (CID 67621095) is 2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid?
The canonical SMILES for 2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid is O=C(O)COc1cc(Cl)cc(NS(=O)(=O)c2ccccc2Cc2ccccc2)c1.
What is the InChIKey of 2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid?
The InChIKey is ZWYQLASGVVSDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO5S/c22-17-11-18(13-19(12-17)28-14-21(24)25)23-29(26,27)20-9-5-4-8-16(20)10-15-6-2-1-3-7-15/h1-9,11-13,23H,10,14H2,(H,24,25).
What are the key properties of 2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid?
2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid has a molecular weight of 431.90 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid is sourced from PubChem (CID 67621095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).