4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H15N3O4S2 — CID 118733952

IUPAC4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=c1c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)coc2ccccc12
InChIInChI=1S/C19H15N3O4S2/c23-18-13(12-26-17-4-2-1-3-16(17)18)11-21-14-5-7-15(8-6-14)28(24,25)22-19-20-9-10-27-19/h1-10,12,21H,11H2,(H,20,22)
InChIKeyKJNSFCMMVQTDMB-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.66
Rot. Bonds6

About 4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 118733952) has the molecular formula C19H15N3O4S2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID118733952
Molecular FormulaC19H15N3O4S2
Molecular Weight413.48 g/mol
Exact Mass413.05
IUPAC Name4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=c1c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)coc2ccccc12
InChIInChI=1S/C19H15N3O4S2/c23-18-13(12-26-17-4-2-1-3-16(17)18)11-21-14-5-7-15(8-6-14)28(24,25)22-19-20-9-10-27-19/h1-10,12,21H,11H2,(H,20,22)
InChIKeyKJNSFCMMVQTDMB-UHFFFAOYSA-N
XLogP3.66
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71580375
4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118733964
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43908583
4-[(2,4-dioxo-1H-pteridin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 169451678
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
4-[[(Z)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 18528439
4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 135980493
1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914201
2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88543999

Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 118733952) is 4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=c1c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)coc2ccccc12.
What is the InChIKey of 4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is KJNSFCMMVQTDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S2/c23-18-13(12-26-17-4-2-1-3-16(17)18)11-21-14-5-7-15(8-6-14)28(24,25)22-19-20-9-10-27-19/h1-10,12,21H,11H2,(H,20,22).
What are the key properties of 4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 413.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 118733952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).