15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane]

C25H21ClN4O2S — CID 70316789

IUPAC15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane]
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C2CC3(CC3)C1Cc1c2cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C25H21ClN4O2S/c26-17-6-8-18(9-7-17)33(31,32)30-22-14-25(10-11-25)23(30)13-21-19(22)15-27-24-12-20(28-29(21)24)16-4-2-1-3-5-16/h1-9,12,15,22-23H,10-11,13-14H2
InChIKeyDIAHHINZFAUTOI-UHFFFAOYSA-N
MW476.99 g/mol
LogP4.89
Rot. Bonds3

About 15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane]

15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane] (PubChem CID 70316789) has the molecular formula C25H21ClN4O2S and a molecular weight of 476.99 g/mol. Its IUPAC name is 15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane].

Molecular Properties

Compound Name15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane]
PubChem CID70316789
Molecular FormulaC25H21ClN4O2S
Molecular Weight476.99 g/mol
Exact Mass476.11
IUPAC Name15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane]
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C2CC3(CC3)C1Cc1c2cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C25H21ClN4O2S/c26-17-6-8-18(9-7-17)33(31,32)30-22-14-25(10-11-25)23(30)13-21-19(22)15-27-24-12-20(28-29(21)24)16-4-2-1-3-5-16/h1-9,12,15,22-23H,10-11,13-14H2
InChIKeyDIAHHINZFAUTOI-UHFFFAOYSA-N
XLogP4.89
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.99
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane] 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

16-(4-chlorophenyl)sulfonyl-4,8,9,16-tetrazatetracyclo[10.3.1.02,10.05,9]hexadeca-2(10),3,5,7-tetraene
CID 59679490
7-(3-fluorophenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-15-carbaldehyde
CID 46968124
2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 23800160
15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
CID 110215048
(4-benzhydrylpiperazin-1-yl)-[2-(4-chlorophenyl)-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 5010610
(1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
CID 98062359
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55646198
5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
2-methoxy-1-[(1S,12S)-7-(4-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]ethanone
CID 98136565
6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1280151
(3S)-2-(benzenesulfonyl)-5-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)-3,4-dihydropyrazole
CID 100654898
(1S,12S)-7-(4-methoxyphenyl)-15-prop-2-enyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
CID 98136682

Frequently Asked Questions

What is the IUPAC name of 15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane]?
The IUPAC name of 15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane] (CID 70316789) is 15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane].
What is the SMILES notation for 15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane]?
The canonical SMILES for 15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane] is O=S(=O)(c1ccc(Cl)cc1)N1C2CC3(CC3)C1Cc1c2cnc2cc(-c3ccccc3)nn12.
What is the InChIKey of 15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane]?
The InChIKey is DIAHHINZFAUTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2S/c26-17-6-8-18(9-7-17)33(31,32)30-22-14-25(10-11-25)23(30)13-21-19(22)15-27-24-12-20(28-29(21)24)16-4-2-1-3-5-16/h1-9,12,15,22-23H,10-11,13-14H2.
What are the key properties of 15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane]?
15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane] has a molecular weight of 476.99 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-chlorophenyl)sulfonyl-7-phenylspiro[4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene-13,1'-cyclopropane] is sourced from PubChem (CID 70316789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).