N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide

C14H22N2O3S — CID 81259849

IUPACN-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC2CCCCCC2N)c1
InChIInChI=1S/C14H22N2O3S/c1-19-11-6-5-7-12(10-11)20(17,18)16-14-9-4-2-3-8-13(14)15/h5-7,10,13-14,16H,2-4,8-9,15H2,1H3
InChIKeyRLFXMMPYFBPQEH-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.63
Rot. Bonds4

About N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide

N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide (PubChem CID 81259849) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide
PubChem CID81259849
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC2CCCCCC2N)c1
InChIInChI=1S/C14H22N2O3S/c1-19-11-6-5-7-12(10-11)20(17,18)16-14-9-4-2-3-8-13(14)15/h5-7,10,13-14,16H,2-4,8-9,15H2,1H3
InChIKeyRLFXMMPYFBPQEH-UHFFFAOYSA-N
XLogP1.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-aminocyclohexyl)benzene-1,3-disulfonamide
CID 61037249
N-[(1S,2S)-2-aminocyclohexyl]-3-(bromomethyl)benzenesulfonamide
CID 97168887
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide
CID 122564179
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide
CID 63258756
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
CID 87832086
N-ethyl-2-(3-methoxyphenyl)sulfonylcycloheptan-1-amine
CID 64644761
N-(2-aminocyclopentyl)pyridine-3-sulfonamide
CID 63252124
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide
CID 95367533
N-(2-cyclohexyl-2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 56764321

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide (CID 81259849) is N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NC2CCCCCC2N)c1.
What is the InChIKey of N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide?
The InChIKey is RLFXMMPYFBPQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-11-6-5-7-12(10-11)20(17,18)16-14-9-4-2-3-8-13(14)15/h5-7,10,13-14,16H,2-4,8-9,15H2,1H3.
What are the key properties of N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide?
N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81259849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).