N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide

C20H28N4O2S — CID 59549754

IUPACN-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2cnc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C20H28N4O2S/c1-15(2)27(25,26)24-18-10-8-16(9-11-18)12-22-20-14-21-19(13-23-20)17-6-4-3-5-7-17/h3-7,13-16,18,24H,8-12H2,1-2H3,(H,22,23)
InChIKeyXIULSCXYHMKTPF-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.44
Rot. Bonds7

About N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 59549754) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID59549754
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2cnc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C20H28N4O2S/c1-15(2)27(25,26)24-18-10-8-16(9-11-18)12-22-20-14-21-19(13-23-20)17-6-4-3-5-7-17/h3-7,13-16,18,24H,8-12H2,1-2H3,(H,22,23)
InChIKeyXIULSCXYHMKTPF-UHFFFAOYSA-N
XLogP3.44
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide (CID 59549754) is N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(CNc2cnc(-c3ccccc3)cn2)CC1.
What is the InChIKey of N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is XIULSCXYHMKTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-15(2)27(25,26)24-18-10-8-16(9-11-18)12-22-20-14-21-19(13-23-20)17-6-4-3-5-7-17/h3-7,13-16,18,24H,8-12H2,1-2H3,(H,22,23).
What are the key properties of N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 388.54 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 59549754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).