4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H16N4O3S2 — CID 100830502

IUPAC4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1C=C(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CN1c1ccccc1
InChIInChI=1S/C19H16N4O3S2/c24-18-12-15(13-23(18)16-4-2-1-3-5-16)21-14-6-8-17(9-7-14)28(25,26)22-19-20-10-11-27-19/h1-12,21H,13H2,(H,20,22)
InChIKeyCVSOIXKRFORXHQ-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.29
Rot. Bonds6

About 4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 100830502) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID100830502
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC Name4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1C=C(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CN1c1ccccc1
InChIInChI=1S/C19H16N4O3S2/c24-18-12-15(13-23(18)16-4-2-1-3-5-16)21-14-6-8-17(9-7-14)28(25,26)22-19-20-10-11-27-19/h1-12,21H,13H2,(H,20,22)
InChIKeyCVSOIXKRFORXHQ-UHFFFAOYSA-N
XLogP3.29
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43908583
4-[(3S)-2-oxo-3-pyrrolidin-1-ylpyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 88538161
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
4-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 980635
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 90767532
4-(2,5-dihydroxypyrrol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 54037138
1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914201
cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 1009601
1-(4-phenoxyphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 25046100
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465896

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 100830502) is 4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1C=C(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CN1c1ccccc1.
What is the InChIKey of 4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is CVSOIXKRFORXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c24-18-12-15(13-23(18)16-4-2-1-3-5-16)21-14-6-8-17(9-7-14)28(25,26)22-19-20-10-11-27-19/h1-12,21H,13H2,(H,20,22).
What are the key properties of 4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 412.50 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 100830502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).