4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide

C16H25NO2S — CID 134018131

IUPAC4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2S/c1-12(13-6-7-13)17(5)20(18,19)15-10-8-14(9-11-15)16(2,3)4/h8-13H,6-7H2,1-5H3
InChIKeyNMKVPWGJAGNMCR-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.40
Rot. Bonds4

About 4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide

4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide (PubChem CID 134018131) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
PubChem CID134018131
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2S/c1-12(13-6-7-13)17(5)20(18,19)15-10-8-14(9-11-15)16(2,3)4/h8-13H,6-7H2,1-5H3
InChIKeyNMKVPWGJAGNMCR-UHFFFAOYSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791377
N-(1-cyclopropylethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 47149207
N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide
CID 62145589
4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide
CID 54920579
N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 93042358
N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide
CID 24677974
2-chloro-4-[1-cyclopropylethyl(methyl)sulfamoyl]benzoic acid
CID 104656448
N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide
CID 95588566
2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 42942284
4-[1-cyclopropylethyl(methyl)sulfamoyl]-3-fluorobenzoic acid
CID 79187636
2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 43568793
N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide
CID 61003128

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide (CID 134018131) is 4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide is CC(C1CC1)N(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide?
The InChIKey is NMKVPWGJAGNMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12(13-6-7-13)17(5)20(18,19)15-10-8-14(9-11-15)16(2,3)4/h8-13H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide?
4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide has a molecular weight of 295.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 134018131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).