N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide

C13H19BrN2O2S — CID 43102128

IUPACN-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H19BrN2O2S/c1-10-4-3-7-16(9-10)19(17,18)15-13-6-5-12(14)8-11(13)2/h5-6,8,10,15H,3-4,7,9H2,1-2H3
InChIKeyVNFFLYNMXFXNTL-UHFFFAOYSA-N
MW347.28 g/mol
LogP3.15
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide

N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 43102128) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide
PubChem CID43102128
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H19BrN2O2S/c1-10-4-3-7-16(9-10)19(17,18)15-13-6-5-12(14)8-11(13)2/h5-6,8,10,15H,3-4,7,9H2,1-2H3
InChIKeyVNFFLYNMXFXNTL-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-4-bromo-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43551014
N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 104814631
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide
CID 107640819
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
CID 43806682
N-(3-amino-4-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 79768125
N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide
CID 107802306
N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 82861668
N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide
CID 114259631
N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43330087
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 62946764
3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide
CID 63820971

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide (CID 43102128) is N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is VNFFLYNMXFXNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-10-4-3-7-16(9-10)19(17,18)15-13-6-5-12(14)8-11(13)2/h5-6,8,10,15H,3-4,7,9H2,1-2H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide?
N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 347.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43102128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).