N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide

C17H14N4O3S2 — CID 4779851

IUPACN-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(Nc2ncnc3sccc23)c1
InChIInChI=1S/C17H14N4O3S2/c22-26(23,20-10-13-4-2-7-24-13)14-5-1-3-12(9-14)21-16-15-6-8-25-17(15)19-11-18-16/h1-9,11,20H,10H2,(H,18,19,21)
InChIKeyUSDUEBNUYIWPEX-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.51
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide

N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide (PubChem CID 4779851) has the molecular formula C17H14N4O3S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
PubChem CID4779851
Molecular FormulaC17H14N4O3S2
Molecular Weight386.46 g/mol
Exact Mass386.05
IUPAC NameN-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(Nc2ncnc3sccc23)c1
InChIInChI=1S/C17H14N4O3S2/c22-26(23,20-10-13-4-2-7-24-13)14-5-1-3-12(9-14)21-16-15-6-8-25-17(15)19-11-18-16/h1-9,11,20H,10H2,(H,18,19,21)
InChIKeyUSDUEBNUYIWPEX-UHFFFAOYSA-N
XLogP3.51
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 4782547
2-[[3-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylamino]benzoic acid
CID 4840097
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 35562907
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55704580
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide
CID 47092091
3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 9332174
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24502578

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide (CID 4779851) is N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide is O=S(=O)(NCc1ccco1)c1cccc(Nc2ncnc3sccc23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide?
The InChIKey is USDUEBNUYIWPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S2/c22-26(23,20-10-13-4-2-7-24-13)14-5-1-3-12(9-14)21-16-15-6-8-25-17(15)19-11-18-16/h1-9,11,20H,10H2,(H,18,19,21).
What are the key properties of N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide?
N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide has a molecular weight of 386.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 4779851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).