2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide

C12H18BrNO2S — CID 25043542

IUPAC2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1Br)C(C)(C)C
InChIInChI=1S/C12H18BrNO2S/c1-9(12(2,3)4)14-17(15,16)11-8-6-5-7-10(11)13/h5-9,14H,1-4H3
InChIKeySZHWRLZOWNSUAR-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.16
Rot. Bonds3

About 2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide

2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide (PubChem CID 25043542) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
PubChem CID25043542
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1Br)C(C)(C)C
InChIInChI=1S/C12H18BrNO2S/c1-9(12(2,3)4)14-17(15,16)11-8-6-5-7-10(11)13/h5-9,14H,1-4H3
InChIKeySZHWRLZOWNSUAR-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115622947
4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 113457653
2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
5-(aminomethyl)-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106079153
N-benzhydryl-2-bromobenzenesulfonamide
CID 7938199
2-bromo-N-methylbenzenesulfonamide
CID 850141
2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817630
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 94227411
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide
CID 61073522
2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 115662781

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide (CID 25043542) is 2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1Br)C(C)(C)C.
What is the InChIKey of 2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
The InChIKey is SZHWRLZOWNSUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-9(12(2,3)4)14-17(15,16)11-8-6-5-7-10(11)13/h5-9,14H,1-4H3.
What are the key properties of 2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide has a molecular weight of 320.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 25043542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).