(NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide

C22H19NO3S — CID 135018228

IUPAC(NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2/C3=C(CC=CC3)C(=O)C3=C2C2C=CC3C2)cc1
InChIInChI=1S/C22H19NO3S/c1-13-6-10-16(11-7-13)27(25,26)23-21-17-4-2-3-5-18(17)22(24)20-15-9-8-14(12-15)19(20)21/h2-3,6-11,14-15H,4-5,12H2,1H3/b23-21-
InChIKeyRTXWXORNJCSRJN-LNVKXUELSA-N
MW377.47 g/mol
LogP3.86
Rot. Bonds2

About (NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide

(NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide (PubChem CID 135018228) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is (NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide
PubChem CID135018228
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC Name(NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2/C3=C(CC=CC3)C(=O)C3=C2C2C=CC3C2)cc1
InChIInChI=1S/C22H19NO3S/c1-13-6-10-16(11-7-13)27(25,26)23-21-17-4-2-3-5-18(17)22(24)20-15-9-8-14(12-15)19(20)21/h2-3,6-11,14-15H,4-5,12H2,1H3/b23-21-
InChIKeyRTXWXORNJCSRJN-LNVKXUELSA-N
XLogP3.86
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-4-methyl-N-(4-oxo-5,8-dihydronaphthalen-1-ylidene)benzenesulfonamide
CID 11324451
N-(5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 135408126
(NE)-N-(6,7-dimethyl-4-oxo-4a,5,8,8a-tetrahydronaphthalen-1-ylidene)-4-methylbenzenesulfonamide
CID 135018497
4-methyl-N-[(1R,2R,11R,12R)-10-(4-methylphenyl)sulfonylimino-3-tetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,13-tetraenylidene]benzenesulfonamide
CID 100712092
(NZ)-4-methyl-N-[4-oxo-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135659588
(NZ)-4-methyl-N-[4-oxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135700428
(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide
CID 6144298
(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
CID 177419048
4-chloro-N-(3,5-dichloro-2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 5118131
(NE)-N-(2-adamantylmethylidene)-4-methylbenzenesulfonamide
CID 12033708
4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
CID 3022075
1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene
CID 170566276

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide?
The IUPAC name of (NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide (CID 135018228) is (NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C2/C3=C(CC=CC3)C(=O)C3=C2C2C=CC3C2)cc1.
What is the InChIKey of (NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide?
The InChIKey is RTXWXORNJCSRJN-LNVKXUELSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-13-6-10-16(11-7-13)27(25,26)23-21-17-4-2-3-5-18(17)22(24)20-15-9-8-14(12-15)19(20)21/h2-3,6-11,14-15H,4-5,12H2,1H3/b23-21-.
What are the key properties of (NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide?
(NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-methyl-N-(10-oxo-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),6,13-tetraenylidene)benzenesulfonamide is sourced from PubChem (CID 135018228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).