N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide

C18H19F2NO3S — CID 169370952

IUPACN-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)c(OCC3CCC3)c(F)c2)cc1
InChIInChI=1S/C18H19F2NO3S/c1-12-5-7-15(8-6-12)25(22,23)21-14-9-16(19)18(17(20)10-14)24-11-13-3-2-4-13/h5-10,13,21H,2-4,11H2,1H3
InChIKeyGTVNTNVWZYQYJN-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.25
Rot. Bonds6

About N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide

N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide (PubChem CID 169370952) has the molecular formula C18H19F2NO3S and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide
PubChem CID169370952
Molecular FormulaC18H19F2NO3S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC NameN-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)c(OCC3CCC3)c(F)c2)cc1
InChIInChI=1S/C18H19F2NO3S/c1-12-5-7-15(8-6-12)25(22,23)21-14-9-16(19)18(17(20)10-14)24-11-13-3-2-4-13/h5-10,13,21H,2-4,11H2,1H3
InChIKeyGTVNTNVWZYQYJN-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide
CID 169372950
tert-butyl 4-[[2-fluoro-4-[(4-methylphenyl)sulfonylamino]phenoxy]methyl]piperidine-1-carboxylate
CID 169372479
N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075817
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371020
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 22203485
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide
CID 168521390
N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide
CID 169373112
1-chloro-3-[4-(cyclobutylmethoxy)-3,5-difluoroanilino]propan-2-ol
CID 168637854
N-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370825
N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372450

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide (CID 169370952) is N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(F)c(OCC3CCC3)c(F)c2)cc1.
What is the InChIKey of N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide?
The InChIKey is GTVNTNVWZYQYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S/c1-12-5-7-15(8-6-12)25(22,23)21-14-9-16(19)18(17(20)10-14)24-11-13-3-2-4-13/h5-10,13,21H,2-4,11H2,1H3.
What are the key properties of N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide?
N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide has a molecular weight of 367.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).