N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide

C14H18ClNO3S — CID 2971752

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1Cl
InChIInChI=1S/C14H18ClNO3S/c1-19-14-5-4-11(8-12(14)15)20(17,18)16-13-7-9-2-3-10(13)6-9/h4-5,8-10,13,16H,2-3,6-7H2,1H3
InChIKeyVFIWTRLHZHTTNY-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.82
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide (PubChem CID 2971752) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide
PubChem CID2971752
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1Cl
InChIInChI=1S/C14H18ClNO3S/c1-19-14-5-4-11(8-12(14)15)20(17,18)16-13-7-9-2-3-10(13)6-9/h4-5,8-10,13,16H,2-3,6-7H2,1H3
InChIKeyVFIWTRLHZHTTNY-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-bicyclo[2.2.1]hept-2-yl-4-methoxybenzenesulfonamide
CID 2900004
4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2978623
3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 961791
3-chloro-N-((1-isopropylpiperidin-4-yl)methyl)-4-methoxybenzenesulfonamide
CID 16887572
3-chloro-N-((1-cyclopentylpiperidin-4-yl)methyl)-4-methoxybenzenesulfonamide
CID 16887744
3-chloro-4-methoxy-N-(2-propan-2-yloxan-4-yl)benzenesulfonamide
CID 121583670
3-chloro-N-[rac-(1S,3R)-3-(hydroxymethyl)cyclohexyl]-4-methoxybenzenesulfonamide
CID 132416179
3-chloro-N-[3-(4-fluorophenyl)propyl]-4-methoxybenzenesulfonamide
CID 17617017
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37497059
3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37497061
3-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 43916317

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide (CID 2971752) is N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide?
The InChIKey is VFIWTRLHZHTTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-19-14-5-4-11(8-12(14)15)20(17,18)16-13-7-9-2-3-10(13)6-9/h4-5,8-10,13,16H,2-3,6-7H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzenesulfonamide has a molecular weight of 315.82 g/mol, XLogP of 2.82, 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)-3-chloro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2971752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).