N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide

C18H20ClNO2S — CID 110446165

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H20ClNO2S/c19-17-9-7-16(8-10-17)18(11-4-12-18)14-20-23(21,22)13-15-5-2-1-3-6-15/h1-3,5-10,20H,4,11-14H2
InChIKeyGNFGURXCVGXQQH-UHFFFAOYSA-N
MW349.88 g/mol
LogP3.88
Rot. Bonds6

About N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide (PubChem CID 110446165) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide
PubChem CID110446165
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H20ClNO2S/c19-17-9-7-16(8-10-17)18(11-4-12-18)14-20-23(21,22)13-15-5-2-1-3-6-15/h1-3,5-10,20H,4,11-14H2
InChIKeyGNFGURXCVGXQQH-UHFFFAOYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
CID 110444598
1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide
CID 30943309
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide
CID 110440589
N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide
CID 113090928
1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445364
1-(3-chlorophenyl)-N-[(1-thiophen-3-ylcyclopentyl)methyl]methanesulfonamide
CID 86263787
N-[(1-phenylcyclopentyl)methyl]methanesulfonamide
CID 47016388
2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide
CID 51111664
3-[[[1-(4-chlorophenyl)cyclopentyl]methylamino]methyl]benzoic acid
CID 122030663
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113090696
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide
CID 110440592

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide (CID 110446165) is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is GNFGURXCVGXQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c19-17-9-7-16(8-10-17)18(11-4-12-18)14-20-23(21,22)13-15-5-2-1-3-6-15/h1-3,5-10,20H,4,11-14H2.
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide?
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 349.88 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110446165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).