4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide

C17H22N2O2S — CID 18389547

IUPAC4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2/C[C@H]3C[C@@H]4C[C@@H](C3)[C@H]2C4)cc1
InChIInChI=1S/C17H22N2O2S/c1-11-2-4-15(5-3-11)22(20,21)19-18-17-10-13-6-12-7-14(8-13)16(17)9-12/h2-5,12-14,16,19H,6-10H2,1H3/b18-17-/t12-,13+,14+,16-/m1/s1
InChIKeyQBGRJHSUEQIHBI-FBAFZMDDSA-N
MW318.44 g/mol
LogP3.09
Rot. Bonds3

About 4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide

4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide (PubChem CID 18389547) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide
PubChem CID18389547
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2/C[C@H]3C[C@@H]4C[C@@H](C3)[C@H]2C4)cc1
InChIInChI=1S/C17H22N2O2S/c1-11-2-4-15(5-3-11)22(20,21)19-18-17-10-13-6-12-7-14(8-13)16(17)9-12/h2-5,12-14,16,19H,6-10H2,1H3/b18-17-/t12-,13+,14+,16-/m1/s1
InChIKeyQBGRJHSUEQIHBI-FBAFZMDDSA-N
XLogP3.09
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(E)-[(1S,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide
CID 124772488
N-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5465867
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5468231
4-methyl-N-[(Z)-[(1S,2R,6S,7R)-8-tricyclo[5.2.1.02,6]decanylidene]amino]benzenesulfonamide
CID 98405958
N-[(E)-[(1R,7S)-2-bicyclo[5.1.0]octanylidene]amino]-4-methylbenzenesulfonamide
CID 6860198
4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide
CID 13113777
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
N-[(Z)-[(3S,5S,8S,9S,10S,13R,14R)-3-hydroxy-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrocyclopenta[a]phenanthren-17-ylidene]amino]-4-methylbenzenesulfonamide
CID 11886977
N-[(E)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]amino]-4-methylbenzenesulfonamide
CID 98513345
N-[(E)-[(1R,2R,4S,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide
CID 124527575
N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide
CID 99959368
4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide
CID 54601490

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide (CID 18389547) is 4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C2/C[C@H]3C[C@@H]4C[C@@H](C3)[C@H]2C4)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide?
The InChIKey is QBGRJHSUEQIHBI-FBAFZMDDSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11-2-4-15(5-3-11)22(20,21)19-18-17-10-13-6-12-7-14(8-13)16(17)9-12/h2-5,12-14,16,19H,6-10H2,1H3/b18-17-/t12-,13+,14+,16-/m1/s1.
What are the key properties of 4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide?
4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide is sourced from PubChem (CID 18389547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).