2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide

C17H19Cl2NO2S — CID 74225948

IUPAC2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO2S/c1-12-10-17(16(19)11-15(12)18)23(21,22)20-13(2)8-9-14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9H2,1-2H3
InChIKeyPQIXRVHECNBNAU-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.60
Rot. Bonds6

About 2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide

2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide (PubChem CID 74225948) has the molecular formula C17H19Cl2NO2S and a molecular weight of 372.32 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
PubChem CID74225948
Molecular FormulaC17H19Cl2NO2S
Molecular Weight372.32 g/mol
Exact Mass371.05
IUPAC Name2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO2S/c1-12-10-17(16(19)11-15(12)18)23(21,22)20-13(2)8-9-14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9H2,1-2H3
InChIKeyPQIXRVHECNBNAU-UHFFFAOYSA-N
XLogP4.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7777692
2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide
CID 99873228
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 133166471
2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 2439942
4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide
CID 7510271
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846
4-chloro-2,5-dimethyl-N-octan-2-ylbenzenesulfonamide
CID 19684239

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide (CID 74225948) is 2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)CCc2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The InChIKey is PQIXRVHECNBNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2S/c1-12-10-17(16(19)11-15(12)18)23(21,22)20-13(2)8-9-14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9H2,1-2H3.
What are the key properties of 2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide has a molecular weight of 372.32 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 74225948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).