N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide

C12H18BrN3O2S — CID 82861668

IUPACN-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)Nc2ccc(N)c(Br)c2)C1
InChIInChI=1S/C12H18BrN3O2S/c1-9-3-2-6-16(8-9)19(17,18)15-10-4-5-12(14)11(13)7-10/h4-5,7,9,15H,2-3,6,8,14H2,1H3
InChIKeyVKGLMVWQBOKFTR-UHFFFAOYSA-N
MW348.27 g/mol
LogP2.42
Rot. Bonds3

About N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide

N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 82861668) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide
PubChem CID82861668
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC NameN-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)Nc2ccc(N)c(Br)c2)C1
InChIInChI=1S/C12H18BrN3O2S/c1-9-3-2-6-16(8-9)19(17,18)15-10-4-5-12(14)11(13)7-10/h4-5,7,9,15H,2-3,6,8,14H2,1H3
InChIKeyVKGLMVWQBOKFTR-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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-(3-amino-4-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 79768125
N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide
CID 114259631
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-(2-amino-4-bromo-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43551014
N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43330087
N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43102128
N-(6-fluoro-3-pyridinyl)-3-methylpiperidine-1-sulfonamide
CID 103777926
5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63154396
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 115663199
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide (CID 82861668) is N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)Nc2ccc(N)c(Br)c2)C1.
What is the InChIKey of N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is VKGLMVWQBOKFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-9-3-2-6-16(8-9)19(17,18)15-10-4-5-12(14)11(13)7-10/h4-5,7,9,15H,2-3,6,8,14H2,1H3.
What are the key properties of N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide?
N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 348.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 82861668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).