[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide

C15H22ClNO3S — CID 65010191

IUPAC[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COc2cccc(Cl)c2)CCCCCC1
InChIInChI=1S/C15H22ClNO3S/c16-13-6-5-7-14(10-13)20-11-15(12-21(17,18)19)8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,11-12H2,(H2,17,18,19)
InChIKeyAEPFGZRHNBAJKY-UHFFFAOYSA-N
MW331.86 g/mol
LogP3.35
Rot. Bonds5

About [1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide

[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide (PubChem CID 65010191) has the molecular formula C15H22ClNO3S and a molecular weight of 331.86 g/mol. Its IUPAC name is [1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide
PubChem CID65010191
Molecular FormulaC15H22ClNO3S
Molecular Weight331.86 g/mol
Exact Mass331.10
IUPAC Name[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COc2cccc(Cl)c2)CCCCCC1
InChIInChI=1S/C15H22ClNO3S/c16-13-6-5-7-14(10-13)20-11-15(12-21(17,18)19)8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,11-12H2,(H2,17,18,19)
InChIKeyAEPFGZRHNBAJKY-UHFFFAOYSA-N
XLogP3.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.86
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
CID 65006602
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799
[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003158
[1-[(3-nitrophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002601
[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003191
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 82727324
[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006703
[1-[(2,3-dichlorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006606
[1-[(2,6-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 81265285
1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene
CID 65007522
[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65010038
[1-[(3-methylphenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65009941

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide?
The IUPAC name of [1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide (CID 65010191) is [1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide.
What is the SMILES notation for [1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide?
The canonical SMILES for [1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide is NS(=O)(=O)CC1(COc2cccc(Cl)c2)CCCCCC1.
What is the InChIKey of [1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide?
The InChIKey is AEPFGZRHNBAJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c16-13-6-5-7-14(10-13)20-11-15(12-21(17,18)19)8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,11-12H2,(H2,17,18,19).
What are the key properties of [1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide?
[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide has a molecular weight of 331.86 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide is sourced from PubChem (CID 65010191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).