2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

C16H19BrN4O2S — CID 121108343

IUPAC2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccccc1Br
InChIInChI=1S/C16H19BrN4O2S/c17-14-3-1-2-4-15(14)24(22,23)20-11-13-5-9-21(10-6-13)16-12-18-7-8-19-16/h1-4,7-8,12-13,20H,5-6,9-11H2
InChIKeyDPKHUNVTOMAUEI-UHFFFAOYSA-N
MW411.33 g/mol
LogP2.43
Rot. Bonds5

About 2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 121108343) has the molecular formula C16H19BrN4O2S and a molecular weight of 411.33 g/mol. Its IUPAC name is 2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID121108343
Molecular FormulaC16H19BrN4O2S
Molecular Weight411.33 g/mol
Exact Mass410.04
IUPAC Name2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccccc1Br
InChIInChI=1S/C16H19BrN4O2S/c17-14-3-1-2-4-15(14)24(22,23)20-11-13-5-9-21(10-6-13)16-12-18-7-8-19-16/h1-4,7-8,12-13,20H,5-6,9-11H2
InChIKeyDPKHUNVTOMAUEI-UHFFFAOYSA-N
XLogP2.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108282
2,3,4,5,6-pentamethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108339
5-ethyl-2-methoxy-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108330
2,3,5,6-tetramethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108326
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 71786437
1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 121108298
2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108159
2-bromo-N-[[4-[(pyridine-3-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide
CID 11191150
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 62592661
2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888184
2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108144
2-nitro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108163

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 121108343) is 2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is DPKHUNVTOMAUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2S/c17-14-3-1-2-4-15(14)24(22,23)20-11-13-5-9-21(10-6-13)16-12-18-7-8-19-16/h1-4,7-8,12-13,20H,5-6,9-11H2.
What are the key properties of 2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 411.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 121108343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).