4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine

C17H14ClN5O3S2 — CID 71518213

IUPAC4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine
SMILESO=S(=O)(c1ccccc1Cl)c1nnn2c1nc(N1CCOCC1)c1sccc12
InChIInChI=1S/C17H14ClN5O3S2/c18-11-3-1-2-4-13(11)28(24,25)17-16-19-15(22-6-8-26-9-7-22)14-12(5-10-27-14)23(16)21-20-17/h1-5,10H,6-9H2
InChIKeyDSEXOPSFWWIFLS-UHFFFAOYSA-N
MW435.92 g/mol
LogP2.66
Rot. Bonds3

About 4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine

4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine (PubChem CID 71518213) has the molecular formula C17H14ClN5O3S2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine.

Molecular Properties

Compound Name4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine
PubChem CID71518213
Molecular FormulaC17H14ClN5O3S2
Molecular Weight435.92 g/mol
Exact Mass435.02
IUPAC Name4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine
SMILESO=S(=O)(c1ccccc1Cl)c1nnn2c1nc(N1CCOCC1)c1sccc12
InChIInChI=1S/C17H14ClN5O3S2/c18-11-3-1-2-4-13(11)28(24,25)17-16-19-15(22-6-8-26-9-7-22)14-12(5-10-27-14)23(16)21-20-17/h1-5,10H,6-9H2
InChIKeyDSEXOPSFWWIFLS-UHFFFAOYSA-N
XLogP2.66
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine 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

7-[4-(4-chlorophenyl)piperazin-1-yl]-10-(4-ethylphenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 22424733
10-(4-chlorophenyl)sulfonyl-7-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 71821142
10-(2,5-dimethylphenyl)sulfonyl-7-(4-ethylpiperazin-1-yl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 20901221
10-(4-methylphenyl)sulfonyl-7-(3-methylpiperidin-1-yl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 18560188
10-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 18590229
10-(3-chlorophenyl)sulfonyl-N,N-dimethyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 142757270
N-methyl-10-(4-methylphenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 70259273
10-(4-chlorophenyl)sulfonyl-N-[(3,5-difluorophenyl)methyl]-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 51366240
N-(oxolan-2-ylmethyl)-10-(4-propan-2-ylphenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 20901175
N-[4-[[10-(benzenesulfonyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]amino]phenyl]acetamide
CID 18560551
10-(4-ethylphenyl)sulfonyl-N-phenyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 18559972
3-(benzenesulfonyl)-5-(4-benzylpiperazin-1-yl)triazolo[1,5-a]quinazoline
CID 16807303

Frequently Asked Questions

What is the IUPAC name of 4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine?
The IUPAC name of 4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine (CID 71518213) is 4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine.
What is the SMILES notation for 4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine?
The canonical SMILES for 4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine is O=S(=O)(c1ccccc1Cl)c1nnn2c1nc(N1CCOCC1)c1sccc12.
What is the InChIKey of 4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine?
The InChIKey is DSEXOPSFWWIFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O3S2/c18-11-3-1-2-4-13(11)28(24,25)17-16-19-15(22-6-8-26-9-7-22)14-12(5-10-27-14)23(16)21-20-17/h1-5,10H,6-9H2.
What are the key properties of 4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine?
4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine has a molecular weight of 435.92 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(2-chlorophenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine is sourced from PubChem (CID 71518213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).