4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide

C21H27NO3S — CID 42269363

IUPAC4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C21H27NO3S/c1-20(2,3)16-7-11-19(12-8-16)26(23,24)22-15-21(13-14-21)17-5-9-18(25-4)10-6-17/h5-12,22H,13-15H2,1-4H3
InChIKeyRDESWCDWCNJEQC-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.00
Rot. Bonds6

About 4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide

4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide (PubChem CID 42269363) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
PubChem CID42269363
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C21H27NO3S/c1-20(2,3)16-7-11-19(12-8-16)26(23,24)22-15-21(13-14-21)17-5-9-18(25-4)10-6-17/h5-12,22H,13-15H2,1-4H3
InChIKeyRDESWCDWCNJEQC-UHFFFAOYSA-N
XLogP4.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269691
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,4-dimethylbenzenesulfonamide
CID 42269391
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide
CID 42269408
1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312097
4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide
CID 113090486
3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450563
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 110440585
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113090768
2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450418
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269288
2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide
CID 27450504

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide (CID 42269363) is 4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide is COc1ccc(C2(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide?
The InChIKey is RDESWCDWCNJEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-20(2,3)16-7-11-19(12-8-16)26(23,24)22-15-21(13-14-21)17-5-9-18(25-4)10-6-17/h5-12,22H,13-15H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide?
4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide is sourced from PubChem (CID 42269363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).