N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide

C15H18N4O3S — CID 99951064

IUPACN-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide
SMILESC[C@@H](Cc1cnccn1)N(C)C(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H18N4O3S/c1-11(9-13-10-17-7-8-18-13)19(2)15(20)12-3-5-14(6-4-12)23(16,21)22/h3-8,10-11H,9H2,1-2H3,(H2,16,21,22)/t11-/m0/s1
InChIKeyLYWKHGKKVHJCFP-NSHDSACASA-N
MW334.40 g/mol
LogP0.83
Rot. Bonds5

About N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide

N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide (PubChem CID 99951064) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide
PubChem CID99951064
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide
SMILESC[C@@H](Cc1cnccn1)N(C)C(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H18N4O3S/c1-11(9-13-10-17-7-8-18-13)19(2)15(20)12-3-5-14(6-4-12)23(16,21)22/h3-8,10-11H,9H2,1-2H3,(H2,16,21,22)/t11-/m0/s1
InChIKeyLYWKHGKKVHJCFP-NSHDSACASA-N
XLogP0.83
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide?
The IUPAC name of N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide (CID 99951064) is N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide?
The canonical SMILES for N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide is C[C@@H](Cc1cnccn1)N(C)C(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide?
The InChIKey is LYWKHGKKVHJCFP-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-11(9-13-10-17-7-8-18-13)19(2)15(20)12-3-5-14(6-4-12)23(16,21)22/h3-8,10-11H,9H2,1-2H3,(H2,16,21,22)/t11-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide?
N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide has a molecular weight of 334.40 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide is sourced from PubChem (CID 99951064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).