N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide

C20H26ClNO2S — CID 22204761

IUPACN-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide
SMILESCCC(C)c1ccc(C(C)NS(=O)(=O)c2cc(C)c(Cl)cc2C)cc1
InChIInChI=1S/C20H26ClNO2S/c1-6-13(2)17-7-9-18(10-8-17)16(5)22-25(23,24)20-12-14(3)19(21)11-15(20)4/h7-13,16,22H,6H2,1-5H3
InChIKeyYJSDRFBEBZKANE-UHFFFAOYSA-N
MW379.95 g/mol
LogP5.51
Rot. Bonds6

About N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide

N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide (PubChem CID 22204761) has the molecular formula C20H26ClNO2S and a molecular weight of 379.95 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide
PubChem CID22204761
Molecular FormulaC20H26ClNO2S
Molecular Weight379.95 g/mol
Exact Mass379.14
IUPAC NameN-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide
SMILESCCC(C)c1ccc(C(C)NS(=O)(=O)c2cc(C)c(Cl)cc2C)cc1
InChIInChI=1S/C20H26ClNO2S/c1-6-13(2)17-7-9-18(10-8-17)16(5)22-25(23,24)20-12-14(3)19(21)11-15(20)4/h7-13,16,22H,6H2,1-5H3
InChIKeyYJSDRFBEBZKANE-UHFFFAOYSA-N
XLogP5.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.95
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide 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

4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 22209047
4-chloro-2,5-dimethyl-N-octan-2-ylbenzenesulfonamide
CID 19684239
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61105766
4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 51249409
2,4,5-trichloro-N-[1-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 22200948
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
CID 3465021
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
4-chloro-2,5-dimethylbenzenesulfonohydrazide
CID 2799465
4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 24875530

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide (CID 22204761) is N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide is CCC(C)c1ccc(C(C)NS(=O)(=O)c2cc(C)c(Cl)cc2C)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide?
The InChIKey is YJSDRFBEBZKANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2S/c1-6-13(2)17-7-9-18(10-8-17)16(5)22-25(23,24)20-12-14(3)19(21)11-15(20)4/h7-13,16,22H,6H2,1-5H3.
What are the key properties of N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide?
N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide has a molecular weight of 379.95 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22204761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).