N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide

C12H17BrN2O2S — CID 114088427

IUPACN-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide
SMILESCN(c1ccc(Br)cc1N)S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H17BrN2O2S/c1-15(12-7-6-9(13)8-11(12)14)18(16,17)10-4-2-3-5-10/h6-8,10H,2-5,14H2,1H3
InChIKeyZPLDZPKEVPLFSC-UHFFFAOYSA-N
MW333.25 g/mol
LogP2.74
Rot. Bonds3

About N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide

N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide (PubChem CID 114088427) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide
PubChem CID114088427
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC NameN-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide
SMILESCN(c1ccc(Br)cc1N)S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H17BrN2O2S/c1-15(12-7-6-9(13)8-11(12)14)18(16,17)10-4-2-3-5-10/h6-8,10H,2-5,14H2,1H3
InChIKeyZPLDZPKEVPLFSC-UHFFFAOYSA-N
XLogP2.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-cyclopentylsulfonylaniline
CID 81185345
4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
CID 60985000
5-bromo-2-(cyclopentylsulfonylmethyl)aniline
CID 114382140
4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
CID 43568860
2-amino-5-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 54888604
4-bromo-1-N-methyl-1-N-(oxan-3-ylmethyl)benzene-1,2-diamine
CID 63726450
N-(5-bromo-3-pyridinyl)-N-methylcyclopropanesulfonamide
CID 142612417
4-bromo-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]benzene-1,2-diamine
CID 114088490
N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide
CID 107465842
2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 43568793
N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide
CID 62970442
N-(4-aminophenyl)-N-methylcyclopropanesulfonamide
CID 64552177

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide (CID 114088427) is N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide is CN(c1ccc(Br)cc1N)S(=O)(=O)C1CCCC1.
What is the InChIKey of N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide?
The InChIKey is ZPLDZPKEVPLFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-15(12-7-6-9(13)8-11(12)14)18(16,17)10-4-2-3-5-10/h6-8,10H,2-5,14H2,1H3.
What are the key properties of N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide?
N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide has a molecular weight of 333.25 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide is sourced from PubChem (CID 114088427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).