[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

C17H13ClN3O4S2- — CID 4747512

IUPAC[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1
InChIInChI=1S/C17H14ClN3O4S2/c18-12-1-5-14(6-2-12)25-11-16(22)20-13-3-7-15(8-4-13)27(23,24)21-17-19-9-10-26-17/h1-10H,11H2,(H2,19,20,21,22)/p-1
InChIKeyPWKDMBSBAZFZLE-UHFFFAOYSA-M
MW422.90 g/mol
LogP4.21
Rot. Bonds7

About [4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide (PubChem CID 4747512) has the molecular formula C17H13ClN3O4S2- and a molecular weight of 422.90 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
PubChem CID4747512
Molecular FormulaC17H13ClN3O4S2-
Molecular Weight422.90 g/mol
Exact Mass422.00
IUPAC Name[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1
InChIInChI=1S/C17H14ClN3O4S2/c18-12-1-5-14(6-2-12)25-11-16(22)20-13-3-7-15(8-4-13)27(23,24)21-17-19-9-10-26-17/h1-10H,11H2,(H2,19,20,21,22)/p-1
InChIKeyPWKDMBSBAZFZLE-UHFFFAOYSA-M
XLogP4.21
TPSA99.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.90
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 8503445
2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578
[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 3644922
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
2-(4-propan-2-ylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1015546
N-(4-chlorophenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 5185109
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 1010577
2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 4511693
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352
2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 4924171
2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
CID 112980612

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The IUPAC name of [4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide (CID 4747512) is [4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide.
What is the SMILES notation for [4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The canonical SMILES for [4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide is O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1.
What is the InChIKey of [4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The InChIKey is PWKDMBSBAZFZLE-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14ClN3O4S2/c18-12-1-5-14(6-2-12)25-11-16(22)20-13-3-7-15(8-4-13)27(23,24)21-17-19-9-10-26-17/h1-10H,11H2,(H2,19,20,21,22)/p-1.
What are the key properties of [4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide has a molecular weight of 422.90 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide is sourced from PubChem (CID 4747512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).