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

C16H24ClNO3S — CID 110440592

IUPACN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C16H24ClNO3S/c1-2-3-12-22(19,20)18-13-16(8-10-21-11-9-16)14-4-6-15(17)7-5-14/h4-7,18H,2-3,8-13H2,1H3
InChIKeyYGGGRFQHBDLCLQ-UHFFFAOYSA-N
MW345.89 g/mol
LogP3.11
Rot. Bonds7

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

N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide (PubChem CID 110440592) has the molecular formula C16H24ClNO3S and a molecular weight of 345.89 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide
PubChem CID110440592
Molecular FormulaC16H24ClNO3S
Molecular Weight345.89 g/mol
Exact Mass345.12
IUPAC NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C16H24ClNO3S/c1-2-3-12-22(19,20)18-13-16(8-10-21-11-9-16)14-4-6-15(17)7-5-14/h4-7,18H,2-3,8-13H2,1H3
InChIKeyYGGGRFQHBDLCLQ-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.89
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide
CID 110440589
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 110440585
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide
CID 86839214
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-cyanobutane-1-sulfonamide
CID 56586785
4-[(butylsulfonylamino)methyl]oxane-4-carboxamide
CID 47372219
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylpentanamide;hydrochloride
CID 119749451
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide
CID 110446165
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide (CID 110440592) is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide?
The InChIKey is YGGGRFQHBDLCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3S/c1-2-3-12-22(19,20)18-13-16(8-10-21-11-9-16)14-4-6-15(17)7-5-14/h4-7,18H,2-3,8-13H2,1H3.
What are the key properties of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide?
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide has a molecular weight of 345.89 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 110440592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).