4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide

C17H20BrNO2S — CID 66485793

IUPAC4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cc(C)c(Br)cc1C
InChIInChI=1S/C17H20BrNO2S/c1-5-19(15-8-6-7-12(2)9-15)22(20,21)17-11-13(3)16(18)10-14(17)4/h6-11H,5H2,1-4H3
InChIKeyOHXKUCNFWOCLIW-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.59
Rot. Bonds4

About 4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide

4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 66485793) has the molecular formula C17H20BrNO2S and a molecular weight of 382.32 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID66485793
Molecular FormulaC17H20BrNO2S
Molecular Weight382.32 g/mol
Exact Mass381.04
IUPAC Name4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cc(C)c(Br)cc1C
InChIInChI=1S/C17H20BrNO2S/c1-5-19(15-8-6-7-12(2)9-15)22(20,21)17-11-13(3)16(18)10-14(17)4/h6-11H,5H2,1-4H3
InChIKeyOHXKUCNFWOCLIW-UHFFFAOYSA-N
XLogP4.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 80578542
2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 103768572
5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 61076203
4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3480168
5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485815
N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695184
N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 23611834
N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 3672777
3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 42283584
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
CID 5180970
N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292528

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide (CID 66485793) is 4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1cc(C)c(Br)cc1C.
What is the InChIKey of 4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is OHXKUCNFWOCLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2S/c1-5-19(15-8-6-7-12(2)9-15)22(20,21)17-11-13(3)16(18)10-14(17)4/h6-11H,5H2,1-4H3.
What are the key properties of 4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide?
4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 382.32 g/mol, XLogP of 4.59, 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-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 66485793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).