2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide

C14H22BrFN2O2S — CID 61059512

IUPAC2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H22BrFN2O2S/c1-11(2)10-18(8-7-17(3)4)21(19,20)14-6-5-12(16)9-13(14)15/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyWEXIUPIVDGTRKY-UHFFFAOYSA-N
MW381.31 g/mol
LogP2.80
Rot. Bonds7

About 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide

2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 61059512) has the molecular formula C14H22BrFN2O2S and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
PubChem CID61059512
Molecular FormulaC14H22BrFN2O2S
Molecular Weight381.31 g/mol
Exact Mass380.06
IUPAC Name2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H22BrFN2O2S/c1-11(2)10-18(8-7-17(3)4)21(19,20)14-6-5-12(16)9-13(14)15/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyWEXIUPIVDGTRKY-UHFFFAOYSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-4-fluorophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103862497
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755345
4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587401
2-[(2-bromo-4-fluorophenyl)sulfonyl-methylamino]propanoic acid
CID 55096582
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
2-[(4-fluoro-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62033701
3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 63322704
methyl 2-[(2-bromo-4-fluorophenyl)sulfonyl-ethylamino]acetate
CID 61384576
5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 54937883
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736
2-bromo-N-ethyl-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61060177
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82845498

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide (CID 61059512) is 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is WEXIUPIVDGTRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrFN2O2S/c1-11(2)10-18(8-7-17(3)4)21(19,20)14-6-5-12(16)9-13(14)15/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 381.31 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 61059512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).