3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid

C15H14ClNO5S — CID 15943963

IUPAC3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C15H14ClNO5S/c1-2-22-13-7-6-11(16)9-14(13)23(20,21)17-12-5-3-4-10(8-12)15(18)19/h3-9,17H,2H2,1H3,(H,18,19)
InChIKeyKGTQONQFKFNVHU-UHFFFAOYSA-N
MW355.80 g/mol
LogP3.24
Rot. Bonds6

About 3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid

3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid (PubChem CID 15943963) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is 3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
PubChem CID15943963
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC Name3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C15H14ClNO5S/c1-2-22-13-7-6-11(16)9-14(13)23(20,21)17-12-5-3-4-10(8-12)15(18)19/h3-9,17H,2H2,1H3,(H,18,19)
InChIKeyKGTQONQFKFNVHU-UHFFFAOYSA-N
XLogP3.24
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-tert-butyl-4-ethoxyphenyl)sulfonylamino]benzoic acid
CID 39845160
5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide
CID 138046171
4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 11977548
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
5-chloro-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 9267841
1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea
CID 118729548
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid
CID 15944040
3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide
CID 134057882
N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012
5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
CID 43662937
4-[2-[3-[(2,5-dichlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688791

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid (CID 15943963) is 3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid is CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid?
The InChIKey is KGTQONQFKFNVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c1-2-22-13-7-6-11(16)9-14(13)23(20,21)17-12-5-3-4-10(8-12)15(18)19/h3-9,17H,2H2,1H3,(H,18,19).
What are the key properties of 3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid?
3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid has a molecular weight of 355.80 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 15943963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).