4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C21H17N3O5S3 — CID 43908583

IUPAC4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17N3O5S3/c25-31(26,20-12-8-18(9-13-20)29-17-4-2-1-3-5-17)23-16-6-10-19(11-7-16)32(27,28)24-21-22-14-15-30-21/h1-15,23H,(H,22,24)
InChIKeyFWBMZJZTMRFVEA-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.54
Rot. Bonds8

About 4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 43908583) has the molecular formula C21H17N3O5S3 and a molecular weight of 487.58 g/mol. Its IUPAC name is 4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID43908583
Molecular FormulaC21H17N3O5S3
Molecular Weight487.58 g/mol
Exact Mass487.03
IUPAC Name4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17N3O5S3/c25-31(26,20-12-8-18(9-13-20)29-17-4-2-1-3-5-17)23-16-6-10-19(11-7-16)32(27,28)24-21-22-14-15-30-21/h1-15,23H,(H,22,24)
InChIKeyFWBMZJZTMRFVEA-UHFFFAOYSA-N
XLogP4.54
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-phenoxyphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 25046100
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 4511693
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
2,4,5-trichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3577500
(2S)-2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 42561538
3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 90596616
3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71691339
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
1-(4-ethoxyphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 25043569
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 43908583) is 4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FWBMZJZTMRFVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5S3/c25-31(26,20-12-8-18(9-13-20)29-17-4-2-1-3-5-17)23-16-6-10-19(11-7-16)32(27,28)24-21-22-14-15-30-21/h1-15,23H,(H,22,24).
What are the key properties of 4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 487.58 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 43908583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).