1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide

C16H24ClNO3S — CID 86972438

IUPAC1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCOC1CCCCCC1
InChIInChI=1S/C16H24ClNO3S/c17-16-10-6-5-7-14(16)13-22(19,20)18-11-12-21-15-8-3-1-2-4-9-15/h5-7,10,15,18H,1-4,8-9,11-13H2
InChIKeyWKMRBXKCBXNXIL-UHFFFAOYSA-N
MW345.89 g/mol
LogP3.50
Rot. Bonds7

About 1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide

1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide (PubChem CID 86972438) has the molecular formula C16H24ClNO3S and a molecular weight of 345.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
PubChem CID86972438
Molecular FormulaC16H24ClNO3S
Molecular Weight345.89 g/mol
Exact Mass345.12
IUPAC Name1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCOC1CCCCCC1
InChIInChI=1S/C16H24ClNO3S/c17-16-10-6-5-7-14(16)13-22(19,20)18-11-12-21-15-8-3-1-2-4-9-15/h5-7,10,15,18H,1-4,8-9,11-13H2
InChIKeyWKMRBXKCBXNXIL-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
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-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
CID 63824243
2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 63825304
1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
CID 63823532
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 4317850
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255
1-(2-chlorophenyl)-N-heptylmethanesulfonamide
CID 17257569
2-amino-N-(2-cyclohexyloxyethyl)ethanesulfonamide
CID 63827888
1-phenyl-N-(2-piperidin-4-yloxyethyl)methanesulfonamide
CID 63871482
N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline
CID 63826664
3-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]oxypropan-1-amine
CID 126807255
2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol
CID 112554358

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide (CID 86972438) is 1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCCOC1CCCCCC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide?
The InChIKey is WKMRBXKCBXNXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3S/c17-16-10-6-5-7-14(16)13-22(19,20)18-11-12-21-15-8-3-1-2-4-9-15/h5-7,10,15,18H,1-4,8-9,11-13H2.
What are the key properties of 1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide has a molecular weight of 345.89 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide is sourced from PubChem (CID 86972438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).