2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide

C12H19BrN2O2S — CID 94227411

IUPAC2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide
SMILESC[C@H](CCN(C)C)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-10(8-9-15(2)3)14-18(16,17)12-7-5-4-6-11(12)13/h4-7,10,14H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyRFOZQTSVWOUPOR-SNVBAGLBSA-N
MW335.27 g/mol
LogP2.07
Rot. Bonds6

About 2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide

2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide (PubChem CID 94227411) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide
PubChem CID94227411
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC Name2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide
SMILESC[C@H](CCN(C)C)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-10(8-9-15(2)3)14-18(16,17)12-7-5-4-6-11(12)13/h4-7,10,14H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyRFOZQTSVWOUPOR-SNVBAGLBSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439
3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide
CID 106054898
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide
CID 61073522
2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 115662781
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25043542
3-[4-(dimethylamino)butan-2-ylsulfamoyl]pyridine-2-carbothioamide
CID 106596928
4-(bromomethyl)-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 65480832
(2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide
CID 51979876
N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 71997346
5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide
CID 54963921
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide (CID 94227411) is 2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide is C[C@H](CCN(C)C)NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide?
The InChIKey is RFOZQTSVWOUPOR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-10(8-9-15(2)3)14-18(16,17)12-7-5-4-6-11(12)13/h4-7,10,14H,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide?
2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide has a molecular weight of 335.27 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 94227411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).