4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide

C14H22BrNO2S — CID 2289585

IUPAC4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
SMILESCC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO2S/c1-11(2)5-4-6-12(3)16-19(17,18)14-9-7-13(15)8-10-14/h7-12,16H,4-6H2,1-3H3/t12-/m1/s1
InChIKeyBPSZFGAEMBGRAA-GFCCVEGCSA-N
MW348.31 g/mol
LogP3.94
Rot. Bonds7

About 4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide

4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide (PubChem CID 2289585) has the molecular formula C14H22BrNO2S and a molecular weight of 348.31 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
PubChem CID2289585
Molecular FormulaC14H22BrNO2S
Molecular Weight348.31 g/mol
Exact Mass347.06
IUPAC Name4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
SMILESCC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO2S/c1-11(2)5-4-6-12(3)16-19(17,18)14-9-7-13(15)8-10-14/h7-12,16H,4-6H2,1-3H3/t12-/m1/s1
InChIKeyBPSZFGAEMBGRAA-GFCCVEGCSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470475
6-[(4-bromophenyl)sulfonylamino]-2-methylheptanoic acid
CID 65284826
4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470980
4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470913
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
4-bromo-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662743
N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154344
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
N-(5-bromopentan-2-yl)-4-methylbenzenesulfonamide
CID 114294982
4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 60639898

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide (CID 2289585) is 4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide is CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide?
The InChIKey is BPSZFGAEMBGRAA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22BrNO2S/c1-11(2)5-4-6-12(3)16-19(17,18)14-9-7-13(15)8-10-14/h7-12,16H,4-6H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide?
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide has a molecular weight of 348.31 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide is sourced from PubChem (CID 2289585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).