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

C21H18ClNO4S — CID 68687615

IUPAC2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO4S/c22-17-11-13-18(14-12-17)28(26,27)23-20-8-4-2-6-16(20)10-9-15-5-1-3-7-19(15)21(24)25/h1-8,11-14,23H,9-10H2,(H,24,25)
InChIKeyOSAPZGGDEFFTMF-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.62
Rot. Bonds7

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

2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid (PubChem CID 68687615) has the molecular formula C21H18ClNO4S and a molecular weight of 415.90 g/mol. Its IUPAC name is 2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
PubChem CID68687615
Molecular FormulaC21H18ClNO4S
Molecular Weight415.90 g/mol
Exact Mass415.06
IUPAC Name2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO4S/c22-17-11-13-18(14-12-17)28(26,27)23-20-8-4-2-6-16(20)10-9-15-5-1-3-7-19(15)21(24)25/h1-8,11-14,23H,9-10H2,(H,24,25)
InChIKeyOSAPZGGDEFFTMF-UHFFFAOYSA-N
XLogP4.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688369
2-[2-[2-(naphthalen-1-ylsulfonylamino)phenyl]ethyl]benzoic acid
CID 68691994
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615674
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 34838079
2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid
CID 68691483
2-[5-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]pentyl]benzoic acid
CID 68689980
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide
CID 86824925
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
2-[5-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pentyl]benzoic acid
CID 68691951

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid?
The IUPAC name of 2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid (CID 68687615) is 2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid is O=C(O)c1ccccc1CCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid?
The InChIKey is OSAPZGGDEFFTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO4S/c22-17-11-13-18(14-12-17)28(26,27)23-20-8-4-2-6-16(20)10-9-15-5-1-3-7-19(15)21(24)25/h1-8,11-14,23H,9-10H2,(H,24,25).
What are the key properties of 2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid?
2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid has a molecular weight of 415.90 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid is sourced from PubChem (CID 68687615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).