N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide

C15H22ClNO2S — CID 110440589

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H22ClNO2S/c1-2-3-11-20(18,19)17-12-15(9-4-10-15)13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12H2,1H3
InChIKeyPYYVDMNZFVIIDR-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.48
Rot. Bonds7

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

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide (PubChem CID 110440589) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide
PubChem CID110440589
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H22ClNO2S/c1-2-3-11-20(18,19)17-12-15(9-4-10-15)13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12H2,1H3
InChIKeyPYYVDMNZFVIIDR-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide
CID 110440592
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 110440585
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide
CID 110446165
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
CID 110444598
N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide
CID 113090928
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
N-[[1-(dimethylamino)cyclopentyl]methyl]butane-1-sulfonamide
CID 131900223
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide
CID 131944790
2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide
CID 119769979
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide
CID 110664517

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide (CID 110440589) is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide?
The InChIKey is PYYVDMNZFVIIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-2-3-11-20(18,19)17-12-15(9-4-10-15)13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12H2,1H3.
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide?
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide has a molecular weight of 315.87 g/mol, XLogP of 3.48, 7 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]butane-1-sulfonamide is sourced from PubChem (CID 110440589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).