4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide

C12H18BrNO2S — CID 60765605

IUPAC4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO2S/c1-4-14(9-10(2)3)17(15,16)12-7-5-11(13)6-8-12/h5-8,10H,4,9H2,1-3H3
InChIKeyCQMRKKALOCPXHK-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.12
Rot. Bonds5

About 4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide

4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 60765605) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID60765605
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO2S/c1-4-14(9-10(2)3)17(15,16)12-7-5-11(13)6-8-12/h5-8,10H,4,9H2,1-3H3
InChIKeyCQMRKKALOCPXHK-UHFFFAOYSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 65482594
3-[(4-bromophenyl)sulfonyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910755
2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 43440509
4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 19682262
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932
4-bromo-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61060305
4-[4-[bis(2-methylpropyl)sulfamoyl]phenoxy]-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166402119
3-N-ethyl-3-N-(2-methylpropyl)benzene-1,3-disulfonamide
CID 43274039
5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 43273626
4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791690
4-bromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylbenzenesulfonamide
CID 114263617

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide (CID 60765605) is 4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide is CCN(CC(C)C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is CQMRKKALOCPXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-4-14(9-10(2)3)17(15,16)12-7-5-11(13)6-8-12/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide?
4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 320.25 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 60765605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).