N-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide

C16H16N4O3S2 — CID 46890389

IUPACN-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(Nc2nccc(-c3ccsc3)n2)cc1
InChIInChI=1S/C16H16N4O3S2/c21-9-8-18-25(22,23)14-3-1-13(2-4-14)19-16-17-7-5-15(20-16)12-6-10-24-11-12/h1-7,10-11,18,21H,8-9H2,(H,17,19,20)
InChIKeyMOVHRTSSQBZCDC-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.22
Rot. Bonds7

About N-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide

N-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 46890389) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID46890389
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC NameN-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(Nc2nccc(-c3ccsc3)n2)cc1
InChIInChI=1S/C16H16N4O3S2/c21-9-8-18-25(22,23)14-3-1-13(2-4-14)19-16-17-7-5-15(20-16)12-6-10-24-11-12/h1-7,10-11,18,21H,8-9H2,(H,17,19,20)
InChIKeyMOVHRTSSQBZCDC-UHFFFAOYSA-N
XLogP2.22
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-N-(4-(N-(4-methylpyrimidin-2-yl)sulfamoyl)phenyl)-3-(thiophen-2-yl)acrylamide
CID 2147336
N-(4-(2-(4-sulfamoylphenylamino)pyrimidin-4-yl)phenyl)-2-(thiophen-2-yl)acetamide
CID 11719652
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
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-2-thiophen-2-yl-acetamide
CID 649585
2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1214402
2-Benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide
CID 3152624
N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide
CID 3233788
N-[3-[4-(thiophen-2-ylmethylamino)pyrimidin-5-yl]phenyl]methanesulfonamide
CID 3235369
4-amino-N-[4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
CID 5730684
4-(4-(5-Methylthiophen-2-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 11617172
4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-(2-(dimethylamino)ethyl)benzenesulfonamide
CID 46871627

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide (CID 46890389) is N-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide is O=S(=O)(NCCO)c1ccc(Nc2nccc(-c3ccsc3)n2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is MOVHRTSSQBZCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c21-9-8-18-25(22,23)14-3-1-13(2-4-14)19-16-17-7-5-15(20-16)12-6-10-24-11-12/h1-7,10-11,18,21H,8-9H2,(H,17,19,20).
What are the key properties of N-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide?
N-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 376.46 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[(4-thiophen-3-ylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 46890389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).