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

C20H24FNO2S — CID 42269691

IUPAC4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FNO2S/c1-19(2,3)15-6-10-18(11-7-15)25(23,24)22-14-20(12-13-20)16-4-8-17(21)9-5-16/h4-11,22H,12-14H2,1-3H3
InChIKeyRDQUJPIVCXNPQS-UHFFFAOYSA-N
MW361.48 g/mol
LogP4.13
Rot. Bonds5

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

4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide (PubChem CID 42269691) has the molecular formula C20H24FNO2S and a molecular weight of 361.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
PubChem CID42269691
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC Name4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FNO2S/c1-19(2,3)15-6-10-18(11-7-15)25(23,24)22-14-20(12-13-20)16-4-8-17(21)9-5-16/h4-11,22H,12-14H2,1-3H3
InChIKeyRDQUJPIVCXNPQS-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269363
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 42269706
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27451425
4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27451467
2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269699
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-nitrobenzenesulfonamide
CID 42269725
4-(1,1-dioxothiazinan-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 71796586
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27451515
4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944280

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide (CID 42269691) is 4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide?
The InChIKey is RDQUJPIVCXNPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2S/c1-19(2,3)15-6-10-18(11-7-15)25(23,24)22-14-20(12-13-20)16-4-8-17(21)9-5-16/h4-11,22H,12-14H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide?
4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide has a molecular weight of 361.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide is sourced from PubChem (CID 42269691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).