1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide

C13H18BrNO2S — CID 28574943

IUPAC1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2S/c1-15(13-4-2-3-5-13)18(16,17)10-11-6-8-12(14)9-7-11/h6-9,13H,2-5,10H2,1H3
InChIKeyKEJSWGHONBDQHF-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.15
Rot. Bonds4

About 1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide

1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide (PubChem CID 28574943) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
PubChem CID28574943
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2S/c1-15(13-4-2-3-5-13)18(16,17)10-11-6-8-12(14)9-7-11/h6-9,13H,2-5,10H2,1H3
InChIKeyKEJSWGHONBDQHF-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide?
The IUPAC name of 1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide (CID 28574943) is 1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide?
The canonical SMILES for 1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide is CN(C1CCCC1)S(=O)(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide?
The InChIKey is KEJSWGHONBDQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-15(13-4-2-3-5-13)18(16,17)10-11-6-8-12(14)9-7-11/h6-9,13H,2-5,10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide?
1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide has a molecular weight of 332.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-cyclopentyl-N-methylmethanesulfonamide is sourced from PubChem (CID 28574943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).