4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide

C11H14BrNO2S — CID 115650716

IUPAC4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
SMILESCN(C1CCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2S/c1-13(10-3-2-4-10)16(14,15)11-7-5-9(12)6-8-11/h5-8,10H,2-4H2,1H3
InChIKeyCMUAWVUQILBCPB-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.62
Rot. Bonds3

About 4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide

4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide (PubChem CID 115650716) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
PubChem CID115650716
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
SMILESCN(C1CCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2S/c1-13(10-3-2-4-10)16(14,15)11-7-5-9(12)6-8-11/h5-8,10H,2-4H2,1H3
InChIKeyCMUAWVUQILBCPB-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 60639726
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 47113368
4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165024
4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650712
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513
2-(4-bromophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 2969352
4-(1-aminoethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43110382
4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
CID 18129528
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide (CID 115650716) is 4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide is CN(C1CCC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide?
The InChIKey is CMUAWVUQILBCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-13(10-3-2-4-10)16(14,15)11-7-5-9(12)6-8-11/h5-8,10H,2-4H2,1H3.
What are the key properties of 4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide?
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide has a molecular weight of 304.21 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 115650716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).