2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide

C12H17Br2NO2S — CID 66619434

IUPAC2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H17Br2NO2S/c1-8(2)15(9(3)4)18(16,17)12-7-10(13)5-6-11(12)14/h5-9H,1-4H3
InChIKeyPQMRLBMAPXJXCQ-UHFFFAOYSA-N
MW399.15 g/mol
LogP4.02
Rot. Bonds4

About 2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide

2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide (PubChem CID 66619434) has the molecular formula C12H17Br2NO2S and a molecular weight of 399.15 g/mol. Its IUPAC name is 2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide
PubChem CID66619434
Molecular FormulaC12H17Br2NO2S
Molecular Weight399.15 g/mol
Exact Mass396.93
IUPAC Name2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H17Br2NO2S/c1-8(2)15(9(3)4)18(16,17)12-7-10(13)5-6-11(12)14/h5-9H,1-4H3
InChIKeyPQMRLBMAPXJXCQ-UHFFFAOYSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.15
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N,N-di(propan-2-yl)benzenesulfonamide
CID 97455770
2,5-dibromo-N-(3-bromopropyl)-N-propan-2-ylbenzenesulfonamide
CID 80672347
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203
4-[(2,5-dibromophenyl)sulfonyl-propan-2-ylamino]butanoic acid
CID 60828454
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538
2,5-dibromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61218146
2,5-dibromobenzenesulfonate
CID 5251665
2,5-dibromo-N-(2-chloroethyl)-N-pentan-3-ylbenzenesulfonamide
CID 63400840
N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 113285756
2-methylpropyl 2,5-dibromobenzenesulfonate
CID 87077272

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide (CID 66619434) is 2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide is CC(C)N(C(C)C)S(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide?
The InChIKey is PQMRLBMAPXJXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO2S/c1-8(2)15(9(3)4)18(16,17)12-7-10(13)5-6-11(12)14/h5-9H,1-4H3.
What are the key properties of 2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide?
2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide has a molecular weight of 399.15 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 66619434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).