4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide

C17H20N4O2S — CID 75437517

IUPAC4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(C3CC3)nc3c2CCC3)cc1
InChIInChI=1S/C17H20N4O2S/c18-24(22,23)13-8-4-11(5-9-13)10-19-17-14-2-1-3-15(14)20-16(21-17)12-6-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H2,18,22,23)(H,19,20,21)
InChIKeyWPNGTAFBCGVDEK-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.10
Rot. Bonds5

About 4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide

4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide (PubChem CID 75437517) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide
PubChem CID75437517
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(C3CC3)nc3c2CCC3)cc1
InChIInChI=1S/C17H20N4O2S/c18-24(22,23)13-8-4-11(5-9-13)10-19-17-14-2-1-3-15(14)20-16(21-17)12-6-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H2,18,22,23)(H,19,20,21)
InChIKeyWPNGTAFBCGVDEK-UHFFFAOYSA-N
XLogP2.10
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide (CID 75437517) is 4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2nc(C3CC3)nc3c2CCC3)cc1.
What is the InChIKey of 4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide?
The InChIKey is WPNGTAFBCGVDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c18-24(22,23)13-8-4-11(5-9-13)10-19-17-14-2-1-3-15(14)20-16(21-17)12-6-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H2,18,22,23)(H,19,20,21).
What are the key properties of 4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide?
4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 75437517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).