N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide

C12H16BrClN2O2S — CID 107613659

IUPACN-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H16BrClN2O2S/c13-11-4-3-10(6-12(11)14)16-19(17,18)8-9-2-1-5-15-7-9/h3-4,6,9,15-16H,1-2,5,7-8H2
InChIKeyQGJLXVNFUOGHKE-UHFFFAOYSA-N
MW367.70 g/mol
LogP2.84
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide

N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide (PubChem CID 107613659) has the molecular formula C12H16BrClN2O2S and a molecular weight of 367.70 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide
PubChem CID107613659
Molecular FormulaC12H16BrClN2O2S
Molecular Weight367.70 g/mol
Exact Mass365.98
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H16BrClN2O2S/c13-11-4-3-10(6-12(11)14)16-19(17,18)8-9-2-1-5-15-7-9/h3-4,6,9,15-16H,1-2,5,7-8H2
InChIKeyQGJLXVNFUOGHKE-UHFFFAOYSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107584272
N-(3-fluoro-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 79050302
N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
CID 79767508
N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972113
N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 65431066
N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
CID 104779838
4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628579
N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
CID 107575670
N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 116787354
4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627732
1-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
CID 62902333
4-bromo-5-chloro-2-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120707871

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide (CID 107613659) is N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide is O=S(=O)(CC1CCCNC1)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is QGJLXVNFUOGHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S/c13-11-4-3-10(6-12(11)14)16-19(17,18)8-9-2-1-5-15-7-9/h3-4,6,9,15-16H,1-2,5,7-8H2.
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide?
N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 367.70 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 107613659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).