N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide

C12H18BrN3O2S — CID 43550872

IUPACN-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C12H18BrN3O2S/c1-9-4-2-3-7-16(9)19(17,18)15-12-6-5-10(14)8-11(12)13/h5-6,8-9,15H,2-4,7,14H2,1H3
InChIKeyUADRDSUZZDQHSF-UHFFFAOYSA-N
MW348.27 g/mol
LogP2.56
Rot. Bonds3

About N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide

N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide (PubChem CID 43550872) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide
PubChem CID43550872
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC NameN-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C12H18BrN3O2S/c1-9-4-2-3-7-16(9)19(17,18)15-12-6-5-10(14)8-11(12)13/h5-6,8-9,15H,2-4,7,14H2,1H3
InChIKeyUADRDSUZZDQHSF-UHFFFAOYSA-N
XLogP2.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide
CID 112557464
N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide
CID 43096857
N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide
CID 107606867
N-(3-amino-4-pyridinyl)-2-methylpiperidine-1-sulfonamide
CID 63063634
4-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 65206811
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide
CID 79723067
2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43210819
N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride
CID 155858477
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide
CID 60814619
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide
CID 99965906
2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
CID 106030556
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide (CID 43550872) is N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)Nc1ccc(N)cc1Br.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is UADRDSUZZDQHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-9-4-2-3-7-16(9)19(17,18)15-12-6-5-10(14)8-11(12)13/h5-6,8-9,15H,2-4,7,14H2,1H3.
What are the key properties of N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide?
N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 348.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43550872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).