N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide

C10H14Br2N4O2S — CID 114073756

IUPACN-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide
SMILESO=S(=O)(Nc1ncc(Br)nc1Br)N1CCCCCC1
InChIInChI=1S/C10H14Br2N4O2S/c11-8-7-13-10(9(12)14-8)15-19(17,18)16-5-3-1-2-4-6-16/h7H,1-6H2,(H,13,15)
InChIKeyCPZYXDCSPIGKPW-UHFFFAOYSA-N
MW414.12 g/mol
LogP2.53
Rot. Bonds3

About N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide

N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide (PubChem CID 114073756) has the molecular formula C10H14Br2N4O2S and a molecular weight of 414.12 g/mol. Its IUPAC name is N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide
PubChem CID114073756
Molecular FormulaC10H14Br2N4O2S
Molecular Weight414.12 g/mol
Exact Mass411.92
IUPAC NameN-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide
SMILESO=S(=O)(Nc1ncc(Br)nc1Br)N1CCCCCC1
InChIInChI=1S/C10H14Br2N4O2S/c11-8-7-13-10(9(12)14-8)15-19(17,18)16-5-3-1-2-4-6-16/h7H,1-6H2,(H,13,15)
InChIKeyCPZYXDCSPIGKPW-UHFFFAOYSA-N
XLogP2.53
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide?
The IUPAC name of N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide (CID 114073756) is N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide.
What is the SMILES notation for N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide?
The canonical SMILES for N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide is O=S(=O)(Nc1ncc(Br)nc1Br)N1CCCCCC1.
What is the InChIKey of N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide?
The InChIKey is CPZYXDCSPIGKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N4O2S/c11-8-7-13-10(9(12)14-8)15-19(17,18)16-5-3-1-2-4-6-16/h7H,1-6H2,(H,13,15).
What are the key properties of N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide?
N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide has a molecular weight of 414.12 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide is sourced from PubChem (CID 114073756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).