N-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide

C16H20N4O3S — CID 125145307

IUPACN-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1CCCO1)c1ccc(CNc2cnccn2)cc1
InChIInChI=1S/C16H20N4O3S/c21-24(22,20-11-14-2-1-9-23-14)15-5-3-13(4-6-15)10-19-16-12-17-7-8-18-16/h3-8,12,14,20H,1-2,9-11H2,(H,18,19)/t14-/m1/s1
InChIKeyIEHPLAQVGPFEOH-CQSZACIVSA-N
MW348.43 g/mol
LogP1.55
Rot. Bonds7

About N-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide

N-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide (PubChem CID 125145307) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide
PubChem CID125145307
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1CCCO1)c1ccc(CNc2cnccn2)cc1
InChIInChI=1S/C16H20N4O3S/c21-24(22,20-11-14-2-1-9-23-14)15-5-3-13(4-6-15)10-19-16-12-17-7-8-18-16/h3-8,12,14,20H,1-2,9-11H2,(H,18,19)/t14-/m1/s1
InChIKeyIEHPLAQVGPFEOH-CQSZACIVSA-N
XLogP1.55
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(oxolan-2-ylmethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-disulfonamide
CID 644660
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
4-[(1H-imidazol-2-ylmethylamino)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 119111730
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 7124105
4-(2-chloroethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43662744
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 55043942
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682480
1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119736096

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide (CID 125145307) is N-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide is O=S(=O)(NC[C@H]1CCCO1)c1ccc(CNc2cnccn2)cc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is IEHPLAQVGPFEOH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O3S/c21-24(22,20-11-14-2-1-9-23-14)15-5-3-13(4-6-15)10-19-16-12-17-7-8-18-16/h3-8,12,14,20H,1-2,9-11H2,(H,18,19)/t14-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide?
N-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-4-[(pyrazin-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 125145307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).