3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline

C12H17BrN2O2S — CID 110614187

IUPAC3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline
SMILESCc1cc(Br)cc(NS(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C12H17BrN2O2S/c1-9-6-10(13)8-12(7-9)15-18(16,17)14-11-4-2-3-5-11/h6-8,11,14-15H,2-5H2,1H3
InChIKeyZYRAUXJATZTIKQ-UHFFFAOYSA-N
MW333.25 g/mol
LogP2.95
Rot. Bonds4

About 3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline

3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline (PubChem CID 110614187) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline.

Molecular Properties

Compound Name3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline
PubChem CID110614187
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline
SMILESCc1cc(Br)cc(NS(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C12H17BrN2O2S/c1-9-6-10(13)8-12(7-9)15-18(16,17)14-11-4-2-3-5-11/h6-8,11,14-15H,2-5H2,1H3
InChIKeyZYRAUXJATZTIKQ-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110675824
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CID 110614185
N-(3-bromo-5-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106089298
3-bromo-5-methyl-N-[(4S)-oxepan-4-yl]benzenesulfonamide
CID 99788629
N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107584272
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
N-(cyclohexylsulfamoyl)naphthalen-2-amine
CID 4600714
N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide
CID 110604732
2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
CID 107582977
1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide
CID 106089270
N-(cyclohexylsulfamoyl)pyrimidin-2-amine
CID 566693

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline?
The IUPAC name of 3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline (CID 110614187) is 3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline.
What is the SMILES notation for 3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline?
The canonical SMILES for 3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline is Cc1cc(Br)cc(NS(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline?
The InChIKey is ZYRAUXJATZTIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-9-6-10(13)8-12(7-9)15-18(16,17)14-11-4-2-3-5-11/h6-8,11,14-15H,2-5H2,1H3.
What are the key properties of 3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline?
3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline has a molecular weight of 333.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline is sourced from PubChem (CID 110614187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).