4-bromo-N,N-di(propan-2-yl)benzenesulfonamide

C12H18BrNO2S — CID 4519291

IUPAC4-bromo-N,N-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO2S/c1-9(2)14(10(3)4)17(15,16)12-7-5-11(13)6-8-12/h5-10H,1-4H3
InChIKeyYWFUIYHKRDBOEV-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.26
Rot. Bonds4

About 4-bromo-N,N-di(propan-2-yl)benzenesulfonamide

4-bromo-N,N-di(propan-2-yl)benzenesulfonamide (PubChem CID 4519291) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 4-bromo-N,N-di(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N,N-di(propan-2-yl)benzenesulfonamide
PubChem CID4519291
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name4-bromo-N,N-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO2S/c1-9(2)14(10(3)4)17(15,16)12-7-5-11(13)6-8-12/h5-10H,1-4H3
InChIKeyYWFUIYHKRDBOEV-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-di(propan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N,N-di(propan-2-yl)benzenesulfonamide (CID 4519291) is 4-bromo-N,N-di(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N,N-di(propan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N,N-di(propan-2-yl)benzenesulfonamide is CC(C)N(C(C)C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N,N-di(propan-2-yl)benzenesulfonamide?
The InChIKey is YWFUIYHKRDBOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-9(2)14(10(3)4)17(15,16)12-7-5-11(13)6-8-12/h5-10H,1-4H3.
What are the key properties of 4-bromo-N,N-di(propan-2-yl)benzenesulfonamide?
4-bromo-N,N-di(propan-2-yl)benzenesulfonamide has a molecular weight of 320.25 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-di(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 4519291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).