N-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide

C14H19NO3S — CID 2900004

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1
InChIInChI=1S/C14H19NO3S/c1-18-12-4-6-13(7-5-12)19(16,17)15-14-9-10-2-3-11(14)8-10/h4-7,10-11,14-15H,2-3,8-9H2,1H3
InChIKeyFCKQLXSXRQEBJJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.16
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide (PubChem CID 2900004) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide
PubChem CID2900004
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1
InChIInChI=1S/C14H19NO3S/c1-18-12-4-6-13(7-5-12)19(16,17)15-14-9-10-2-3-11(14)8-10/h4-7,10-11,14-15H,2-3,8-9H2,1H3
InChIKeyFCKQLXSXRQEBJJ-UHFFFAOYSA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2989021
4-Methoxy-N-phenethyl-benzenesulfonamide
CID 739803
N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide
CID 2893758
2-methoxy-5-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2978475
(Z)-7-[(1S,2R,3R,4R)-3-[(4-methoxyphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 11004079
sodium (Z)-7-[(1R,2S,3S)-3-[(4-methoxyphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoate
CID 44297927
4-ethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2980145
N-cyclohexyl-3-fluoro-4-methoxybenzenesulfonamide
CID 5226240
N-cyclohexyl-4-methoxybenzenesulfonamide
CID 766282
N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide
CID 847796

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide (CID 2900004) is N-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide?
The InChIKey is FCKQLXSXRQEBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-18-12-4-6-13(7-5-12)19(16,17)15-14-9-10-2-3-11(14)8-10/h4-7,10-11,14-15H,2-3,8-9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2900004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).