3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide

C15H20N6O3S — CID 171849376

IUPAC3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESCOc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCNCC1
InChIInChI=1S/C15H20N6O3S/c1-24-13-10-18-15(20-14(13)21-7-5-17-6-8-21)19-11-3-2-4-12(9-11)25(16,22)23/h2-4,9-10,17H,5-8H2,1H3,(H2,16,22,23)(H,18,19,20)
InChIKeyRCTKPVIQGCCIMM-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.29
Rot. Bonds5

About 3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide

3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 171849376) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID171849376
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Name3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESCOc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCNCC1
InChIInChI=1S/C15H20N6O3S/c1-24-13-10-18-15(20-14(13)21-7-5-17-6-8-21)19-11-3-2-4-12(9-11)25(16,22)23/h2-4,9-10,17H,5-8H2,1H3,(H2,16,22,23)(H,18,19,20)
InChIKeyRCTKPVIQGCCIMM-UHFFFAOYSA-N
XLogP0.29
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[5-methoxy-4-[(1R,5S)-8-phenyl-8-azabicyclo[3.2.1]octan-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 171849372
3-[[3-(3,4,5-trimethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]benzenesulfonamide
CID 11662521
3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 153326122
3-[[2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide
CID 59262936
3-[[6-(2-methoxyphenyl)-7H-purin-2-yl]amino]benzenesulfonamide
CID 174597300
3-[[4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 25155134
3-[[5-methyl-2-(3-piperazin-1-ylanilino)pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
CID 163899257
3-[(5-methyl-6-oxo-11-propan-2-ylpyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide
CID 137396986
5-methoxy-N-(4-piperazin-1-ylphenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 23648870
4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CID 44816276
3-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 59174760
3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)benzenesulfonamide
CID 11405920

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide (CID 171849376) is 3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide is COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCNCC1.
What is the InChIKey of 3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is RCTKPVIQGCCIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-24-13-10-18-15(20-14(13)21-7-5-17-6-8-21)19-11-3-2-4-12(9-11)25(16,22)23/h2-4,9-10,17H,5-8H2,1H3,(H2,16,22,23)(H,18,19,20).
What are the key properties of 3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 171849376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).