N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide

C22H26FNO3S — CID 26347569

IUPACN-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1
InChIInChI=1S/C22H26FNO3S/c1-16-5-8-19(23)13-22(16)28(25,26)24(20-9-10-20)14-17-6-11-21(12-7-17)27-15-18-3-2-4-18/h5-8,11-13,18,20H,2-4,9-10,14-15H2,1H3
InChIKeyVLXBQAMOMDMMLT-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.67
Rot. Bonds8

About N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide

N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 26347569) has the molecular formula C22H26FNO3S and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide
PubChem CID26347569
Molecular FormulaC22H26FNO3S
Molecular Weight403.52 g/mol
Exact Mass403.16
IUPAC NameN-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1
InChIInChI=1S/C22H26FNO3S/c1-16-5-8-19(23)13-22(16)28(25,26)24(20-9-10-20)14-17-6-11-21(12-7-17)27-15-18-3-2-4-18/h5-8,11-13,18,20H,2-4,9-10,14-15H2,1H3
InChIKeyVLXBQAMOMDMMLT-UHFFFAOYSA-N
XLogP4.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 118521530
(R)-5-Fluoro-N-(1-(4-isopropoxybenzyl)pyrrolidin-3-yl)-2-methylbenzenesulfonamide
CID 25045015
N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 71623176
N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 71623177
N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 70688533
N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 70696815
N1-Cyclopropyl-N1-[(4-ethoxyphenyl)methyl]-N4,N4-dimethylbenzene-1,4-disulfonamide
CID 1176367
US9751873, Example 3
CID 118223098
4-{2-[(4-Ethoxybenzyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 2970120
(S)-Gyramide A
CID 25037436
5-fluoro-2-methyl-N-[(3R)-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 25045268
N-cyclobutyl-N-[(2,2-dimethylchromen-6-yl)methyl]-4-ethoxybenzenesulfonamide
CID 137632810

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide (CID 26347569) is N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1.
What is the InChIKey of N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is VLXBQAMOMDMMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3S/c1-16-5-8-19(23)13-22(16)28(25,26)24(20-9-10-20)14-17-6-11-21(12-7-17)27-15-18-3-2-4-18/h5-8,11-13,18,20H,2-4,9-10,14-15H2,1H3.
What are the key properties of N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide?
N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 403.52 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 26347569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).