4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide

C15H25BrN2O2S — CID 6735647

IUPAC4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C15H25BrN2O2S/c1-6-12-9-13(16)7-8-14(12)21(19,20)17-10-15(2,3)11-18(4)5/h7-9,17H,6,10-11H2,1-5H3
InChIKeyXYMSLJSYCLGWGC-UHFFFAOYSA-N
MW377.35 g/mol
LogP2.88
Rot. Bonds7

About 4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide

4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide (PubChem CID 6735647) has the molecular formula C15H25BrN2O2S and a molecular weight of 377.35 g/mol. Its IUPAC name is 4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide
PubChem CID6735647
Molecular FormulaC15H25BrN2O2S
Molecular Weight377.35 g/mol
Exact Mass376.08
IUPAC Name4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C15H25BrN2O2S/c1-6-12-9-13(16)7-8-14(12)21(19,20)17-10-15(2,3)11-18(4)5/h7-9,17H,6,10-11H2,1-5H3
InChIKeyXYMSLJSYCLGWGC-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-ethyl-N-methylbenzenesulfonamide
CID 67059569
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide
CID 4790001
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide
CID 9236304
5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylbenzenesulfonamide
CID 29041934
2-amino-5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140176
5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 29033224
4-amino-2-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 43256371
N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-ethylbenzenesulfonamide
CID 5011448
4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide
CID 3869524
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
CID 53350877
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methoxybenzenesulfonamide
CID 6736491
4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 25041295

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide (CID 6735647) is 4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide is CCc1cc(Br)ccc1S(=O)(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of 4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide?
The InChIKey is XYMSLJSYCLGWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2S/c1-6-12-9-13(16)7-8-14(12)21(19,20)17-10-15(2,3)11-18(4)5/h7-9,17H,6,10-11H2,1-5H3.
What are the key properties of 4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide?
4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide has a molecular weight of 377.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide is sourced from PubChem (CID 6735647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).