1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide

C15H22ClNO3S — CID 131913148

IUPAC1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCCCCC1CCCO1
InChIInChI=1S/C15H22ClNO3S/c16-14-6-3-5-13(11-14)12-21(18,19)17-9-2-1-7-15-8-4-10-20-15/h3,5-6,11,15,17H,1-2,4,7-10,12H2
InChIKeyKQOYMZQYHOTWSD-UHFFFAOYSA-N
MW331.86 g/mol
LogP3.11
Rot. Bonds8

About 1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide

1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide (PubChem CID 131913148) has the molecular formula C15H22ClNO3S and a molecular weight of 331.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide
PubChem CID131913148
Molecular FormulaC15H22ClNO3S
Molecular Weight331.86 g/mol
Exact Mass331.10
IUPAC Name1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCCCCC1CCCO1
InChIInChI=1S/C15H22ClNO3S/c16-14-6-3-5-13(11-14)12-21(18,19)17-9-2-1-7-15-8-4-10-20-15/h3,5-6,11,15,17H,1-2,4,7-10,12H2
InChIKeyKQOYMZQYHOTWSD-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.86
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide
CID 90522760
1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 122557133
2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol
CID 66060580
1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide
CID 95733836
1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
CID 27245579
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383
N-[[2-[(3-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 42824244
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166180
1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide
CID 42388921
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide
CID 164633043

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide (CID 131913148) is 1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NCCCCC1CCCO1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide?
The InChIKey is KQOYMZQYHOTWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c16-14-6-3-5-13(11-14)12-21(18,19)17-9-2-1-7-15-8-4-10-20-15/h3,5-6,11,15,17H,1-2,4,7-10,12H2.
What are the key properties of 1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide has a molecular weight of 331.86 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide is sourced from PubChem (CID 131913148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).