(NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide

C16H19Cl2NO2S — CID 134935939

IUPAC(NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)/C(=N/S(=O)(=O)c1ccccc1)C2(Cl)Cl
InChIInChI=1S/C16H19Cl2NO2S/c1-14(2)12-9-10-15(14,3)13(16(12,17)18)19-22(20,21)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/b19-13-/t12-,15-/m0/s1
InChIKeyKRIBWXQZUGCEEO-GNYGEORDSA-N
MW360.31 g/mol
LogP4.45
Rot. Bonds2

About (NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide

(NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide (PubChem CID 134935939) has the molecular formula C16H19Cl2NO2S and a molecular weight of 360.31 g/mol. Its IUPAC name is (NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide
PubChem CID134935939
Molecular FormulaC16H19Cl2NO2S
Molecular Weight360.31 g/mol
Exact Mass359.05
IUPAC Name(NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)/C(=N/S(=O)(=O)c1ccccc1)C2(Cl)Cl
InChIInChI=1S/C16H19Cl2NO2S/c1-14(2)12-9-10-15(14,3)13(16(12,17)18)19-22(20,21)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/b19-13-/t12-,15-/m0/s1
InChIKeyKRIBWXQZUGCEEO-GNYGEORDSA-N
XLogP4.45
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5R,6R)-2,3,5,6-tetrachloro-5-methyl-4-oxocyclohex-2-en-1-ylidene]benzenesulfonamide
CID 7344808
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
N-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 13437743
N-(5,6-dichloro-5-methyl-4-oxo-2-propan-2-ylcyclohex-2-en-1-ylidene)benzenesulfonamide
CID 3518319
N-[(5R,6S)-5,6-dichloro-5-methyl-4-oxo-2-propan-2-ylcyclohex-2-en-1-ylidene]benzenesulfonamide
CID 7721704
1,7,7-trimethyl-2',2'-diphenylspiro[bicyclo[2.2.1]heptane-3,3'-thiirane]-2-one
CID 135004145
(1R,3S,4S)-1,7,7-trimethyl-2',2'-diphenylspiro[bicyclo[2.2.1]heptane-3,3'-thiirane]-2-one
CID 101383864
N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide
CID 134612858
1,7,7-trimethyl-3-(3-phenylpropyl)-3-[4,7,7-trimethyl-3-oxo-2-(3-phenylpropyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptan-2-one
CID 2750794
(1S,3S,4S)-1,7,7-trimethyl-3-(3-phenylpropyl)-3-[(1S,2R,4R)-4,7,7-trimethyl-3-oxo-2-(3-phenylpropyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptan-2-one
CID 124527996
[(2Z)-2-(benzenesulfonylhydrazinylidene)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 130287369
N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide
CID 33162332

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide?
The IUPAC name of (NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide (CID 134935939) is (NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide is CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/S(=O)(=O)c1ccccc1)C2(Cl)Cl.
What is the InChIKey of (NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide?
The InChIKey is KRIBWXQZUGCEEO-GNYGEORDSA-N. The full InChI is InChI=1S/C16H19Cl2NO2S/c1-14(2)12-9-10-15(14,3)13(16(12,17)18)19-22(20,21)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/b19-13-/t12-,15-/m0/s1.
What are the key properties of (NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide?
(NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide has a molecular weight of 360.31 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1R,4S)-3,3-dichloro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzenesulfonamide is sourced from PubChem (CID 134935939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).