N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide

C12H16BrIN2O2S — CID 114259631

IUPACN-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)Nc2ccc(Br)c(I)c2)C1
InChIInChI=1S/C12H16BrIN2O2S/c1-9-3-2-6-16(8-9)19(17,18)15-10-4-5-11(13)12(14)7-10/h4-5,7,9,15H,2-3,6,8H2,1H3
InChIKeyRMAAVYLRPHJCTH-UHFFFAOYSA-N
MW459.15 g/mol
LogP3.44
Rot. Bonds3

About N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide

N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 114259631) has the molecular formula C12H16BrIN2O2S and a molecular weight of 459.15 g/mol. Its IUPAC name is N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide
PubChem CID114259631
Molecular FormulaC12H16BrIN2O2S
Molecular Weight459.15 g/mol
Exact Mass457.92
IUPAC NameN-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)Nc2ccc(Br)c(I)c2)C1
InChIInChI=1S/C12H16BrIN2O2S/c1-9-3-2-6-16(8-9)19(17,18)15-10-4-5-11(13)12(14)7-10/h4-5,7,9,15H,2-3,6,8H2,1H3
InChIKeyRMAAVYLRPHJCTH-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 79768125
N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 82861668
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide
CID 107640819
N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43102128
N-(6-fluoro-3-pyridinyl)-3-methylpiperidine-1-sulfonamide
CID 103777926
N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 104814631
N-(2-amino-4-bromo-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43551014
2-bromo-5-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 115295978
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529
5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63154396
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325
3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide
CID 75533812

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide (CID 114259631) is N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)Nc2ccc(Br)c(I)c2)C1.
What is the InChIKey of N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is RMAAVYLRPHJCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrIN2O2S/c1-9-3-2-6-16(8-9)19(17,18)15-10-4-5-11(13)12(14)7-10/h4-5,7,9,15H,2-3,6,8H2,1H3.
What are the key properties of N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide?
N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 459.15 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 114259631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).