2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide

C15H23BrN2O2S — CID 61216934

IUPAC2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCN(C1CCCC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H23BrN2O2S/c1-17(2)11-12-18(13-7-3-4-8-13)21(19,20)15-10-6-5-9-14(15)16/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
InChIKeyVGEGEXNHBLCYRT-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.94
Rot. Bonds6

About 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide

2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 61216934) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID61216934
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCN(C1CCCC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H23BrN2O2S/c1-17(2)11-12-18(13-7-3-4-8-13)21(19,20)15-10-6-5-9-14(15)16/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
InChIKeyVGEGEXNHBLCYRT-UHFFFAOYSA-N
XLogP2.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 61216934) is 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is VGEGEXNHBLCYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-17(2)11-12-18(13-7-3-4-8-13)21(19,20)15-10-6-5-9-14(15)16/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 61216934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).