4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide

C16H18BrNO2S — CID 63420834

IUPAC4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C16H18BrNO2S/c1-4-18(14-7-5-12(2)6-8-14)21(19,20)15-9-10-16(17)13(3)11-15/h5-11H,4H2,1-3H3
InChIKeyHMFLJSNIBIRCFU-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.28
Rot. Bonds4

About 4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide

4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 63420834) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID63420834
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C16H18BrNO2S/c1-4-18(14-7-5-12(2)6-8-14)21(19,20)15-9-10-16(17)13(3)11-15/h5-11H,4H2,1-3H3
InChIKeyHMFLJSNIBIRCFU-UHFFFAOYSA-N
XLogP4.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 103697234
2-(4-bromo-3-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid
CID 28590060
2-amino-N-ethyl-N-(4-methylphenyl)pyridine-4-sulfonamide
CID 62158760
4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
CID 60707695
4-bromo-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54941900
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide
CID 79114135
N-(4-aminophenyl)-4-bromo-N-ethylbenzenesulfonamide
CID 63233827
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzenesulfonamide
CID 60652378
3-[ethyl-(4-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 54004952
4-bromo-3-methylbenzenesulfonyl bromide
CID 130493717

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 63420834) is 4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide is CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is HMFLJSNIBIRCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-4-18(14-7-5-12(2)6-8-14)21(19,20)15-9-10-16(17)13(3)11-15/h5-11H,4H2,1-3H3.
What are the key properties of 4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide?
4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 63420834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).