4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide

C21H29NO2S — CID 3305277

IUPAC4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C21H29NO2S/c1-5-21(3,4)19-13-15-20(16-14-19)25(23,24)22-17(2)11-12-18-9-7-6-8-10-18/h6-10,13-17,22H,5,11-12H2,1-4H3
InChIKeyLNRFYABIDRJYTF-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.67
Rot. Bonds8

About 4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide

4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide (PubChem CID 3305277) has the molecular formula C21H29NO2S and a molecular weight of 359.54 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
PubChem CID3305277
Molecular FormulaC21H29NO2S
Molecular Weight359.54 g/mol
Exact Mass359.19
IUPAC Name4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C21H29NO2S/c1-5-21(3,4)19-13-15-20(16-14-19)25(23,24)22-17(2)11-12-18-9-7-6-8-10-18/h6-10,13-17,22H,5,11-12H2,1-4H3
InChIKeyLNRFYABIDRJYTF-UHFFFAOYSA-N
XLogP4.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide
CID 43629384
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 133164761
6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide
CID 7510271
3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 10249451
4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 9181822
2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 2439942
2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7777692

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide (CID 3305277) is 4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The InChIKey is LNRFYABIDRJYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2S/c1-5-21(3,4)19-13-15-20(16-14-19)25(23,24)22-17(2)11-12-18-9-7-6-8-10-18/h6-10,13-17,22H,5,11-12H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide?
4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide has a molecular weight of 359.54 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3305277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).