4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide

C17H14N4O2S2 — CID 127027289

IUPAC4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1
InChIInChI=1S/C17H14N4O2S2/c18-25(22,23)13-7-5-12(6-8-13)20-17-19-9-11-10-24-15-4-2-1-3-14(15)16(11)21-17/h1-9H,10H2,(H2,18,22,23)(H,19,20,21)
InChIKeyNOACBRAIEONKTR-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.14
Rot. Bonds3

About 4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide

4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide (PubChem CID 127027289) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide
PubChem CID127027289
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1
InChIInChI=1S/C17H14N4O2S2/c18-25(22,23)13-7-5-12(6-8-13)20-17-19-9-11-10-24-15-4-2-1-3-14(15)16(11)21-17/h1-9H,10H2,(H2,18,22,23)(H,19,20,21)
InChIKeyNOACBRAIEONKTR-UHFFFAOYSA-N
XLogP3.14
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(2-((2-(4-(methylsulfonyl)phenylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)phenyl)methanesulfonamide
CID 44563062
4-[(4-Pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347151
4-(4-(Naphthalen-2-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 25210880
N-(2-(dimethylamino)ethyl)-4-(4-(thiophen-3-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 46890320
N-(3-(dimethylamino)propyl)-4-(4-(thiophen-3-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 46890387
4-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 653841
2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1214402
N-benzyl-6-[(phenylsulfonyl)methyl]-2-(2-pyridinyl)-4-pyrimidinamine
CID 1471776
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2496500
N-Benzyl-6-((phenylsulfonyl)methyl)-2-(4-pyridinyl)-4-pyrimidinamine
CID 2769215
2-Benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide
CID 3152624
4-{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-ylamino}-benzenesulfonamide
CID 44353995

Frequently Asked Questions

What is the IUPAC name of 4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide?
The IUPAC name of 4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide (CID 127027289) is 4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide?
The canonical SMILES for 4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1.
What is the InChIKey of 4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide?
The InChIKey is NOACBRAIEONKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c18-25(22,23)13-7-5-12(6-8-13)20-17-19-9-11-10-24-15-4-2-1-3-14(15)16(11)21-17/h1-9H,10H2,(H2,18,22,23)(H,19,20,21).
What are the key properties of 4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide?
4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide has a molecular weight of 370.46 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 127027289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).