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

C17H18ClNO2S — CID 110444598

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2ccc(Cl)cc2)CCC1)c1ccccc1
InChIInChI=1S/C17H18ClNO2S/c18-15-9-7-14(8-10-15)17(11-4-12-17)13-19-22(20,21)16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-13H2
InChIKeyWQEKDIFLVRCXLH-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.74
Rot. Bonds5

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

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide (PubChem CID 110444598) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
PubChem CID110444598
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2ccc(Cl)cc2)CCC1)c1ccccc1
InChIInChI=1S/C17H18ClNO2S/c18-15-9-7-14(8-10-15)17(11-4-12-17)13-19-22(20,21)16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-13H2
InChIKeyWQEKDIFLVRCXLH-UHFFFAOYSA-N
XLogP3.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide
CID 110446165
2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide
CID 51111664
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27451425
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide
CID 1114580
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
4-[(1-phenylcyclohexyl)methylsulfamoyl]benzamide
CID 46457755
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide
CID 110440589
2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269295
methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate
CID 18999568
N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide
CID 113090928
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide (CID 110444598) is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide is O=S(=O)(NCC1(c2ccc(Cl)cc2)CCC1)c1ccccc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide?
The InChIKey is WQEKDIFLVRCXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c18-15-9-7-14(8-10-15)17(11-4-12-17)13-19-22(20,21)16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-13H2.
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide?
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide has a molecular weight of 335.86 g/mol, XLogP of 3.74, 5 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]benzenesulfonamide is sourced from PubChem (CID 110444598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).