N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide

C14H17ClN2O2S — CID 6509312

IUPACN-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2/CC3(Cl)CCC2C3)cc1
InChIInChI=1S/C14H17ClN2O2S/c1-10-2-4-12(5-3-10)20(18,19)17-16-13-9-14(15)7-6-11(13)8-14/h2-5,11,17H,6-9H2,1H3/b16-13-
InChIKeyXBKYZNPQHHONQQ-SSZFMOIBSA-N
MW312.82 g/mol
LogP2.81
Rot. Bonds3

About N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide

N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide (PubChem CID 6509312) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide
PubChem CID6509312
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC NameN-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2/CC3(Cl)CCC2C3)cc1
InChIInChI=1S/C14H17ClN2O2S/c1-10-2-4-12(5-3-10)20(18,19)17-16-13-9-14(15)7-6-11(13)8-14/h2-5,11,17H,6-9H2,1H3/b16-13-
InChIKeyXBKYZNPQHHONQQ-SSZFMOIBSA-N
XLogP2.81
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5465867
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5468231
N-[(E)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]amino]-4-methylbenzenesulfonamide
CID 98513345
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
4-methyl-N-[[(1S,4R,6S,9R)-12-[(4-methylphenyl)sulfonylhydrazinylidene]-5-tetracyclo[7.2.1.04,11.06,10]dodecanylidene]amino]benzenesulfonamide
CID 125034492
4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750
N-[(E)-[(1R,7S)-2-bicyclo[5.1.0]octanylidene]amino]-4-methylbenzenesulfonamide
CID 6860198
N-[(E)-[(3R,3aR,8aR)-3-hydroxy-3,8,8-trimethyl-2,3a,5,6,7,8a-hexahydro-1H-azulen-4-ylidene]amino]-4-methylbenzenesulfonamide
CID 139095698
4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide
CID 54601490
N-[(E)-[(1R,4S,7R)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-4-methylbenzenesulfonamide
CID 98518220
4-methyl-N-[(Z)-[(1S,2R,6S,7R)-8-tricyclo[5.2.1.02,6]decanylidene]amino]benzenesulfonamide
CID 98405958
N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide
CID 91885680

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide (CID 6509312) is N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C2/CC3(Cl)CCC2C3)cc1.
What is the InChIKey of N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide?
The InChIKey is XBKYZNPQHHONQQ-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-10-2-4-12(5-3-10)20(18,19)17-16-13-9-14(15)7-6-11(13)8-14/h2-5,11,17H,6-9H2,1H3/b16-13-.
What are the key properties of N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide?
N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide has a molecular weight of 312.82 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6509312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).