1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide

C20H25BrN2O2S — CID 46767818

IUPAC1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Br)cc1)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H25BrN2O2S/c21-20-10-8-19(9-11-20)16-26(24,25)22-14-17-4-6-18(7-5-17)15-23-12-2-1-3-13-23/h4-11,22H,1-3,12-16H2
InChIKeyKOYARNUJVFCTOY-UHFFFAOYSA-N
MW437.40 g/mol
LogP4.05
Rot. Bonds7

About 1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide

1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide (PubChem CID 46767818) has the molecular formula C20H25BrN2O2S and a molecular weight of 437.40 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide
PubChem CID46767818
Molecular FormulaC20H25BrN2O2S
Molecular Weight437.40 g/mol
Exact Mass436.08
IUPAC Name1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Br)cc1)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H25BrN2O2S/c21-20-10-8-19(9-11-20)16-26(24,25)22-14-17-4-6-18(7-5-17)15-23-12-2-1-3-13-23/h4-11,22H,1-3,12-16H2
InChIKeyKOYARNUJVFCTOY-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]azepane-1-sulfonamide
CID 55223918
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 71050440
N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide
CID 63665760
4-chloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096857
[4-(piperidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275153
4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248777
1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine
CID 174819017
1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide
CID 55530270
5-bromo-2-fluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8545995
3-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096859
[4-(pyrrolidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275144

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide (CID 46767818) is 1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide is O=S(=O)(Cc1ccc(Br)cc1)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide?
The InChIKey is KOYARNUJVFCTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O2S/c21-20-10-8-19(9-11-20)16-26(24,25)22-14-17-4-6-18(7-5-17)15-23-12-2-1-3-13-23/h4-11,22H,1-3,12-16H2.
What are the key properties of 1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide?
1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide has a molecular weight of 437.40 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 46767818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).