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

C15H12ClN5O2S2 — CID 142757270

IUPAC10-(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
SMILESCN(C)c1nc2c(S(=O)(=O)c3cccc(Cl)c3)nnn2c2ccsc12
InChIInChI=1S/C15H12ClN5O2S2/c1-20(2)13-12-11(6-7-24-12)21-14(17-13)15(18-19-21)25(22,23)10-5-3-4-9(16)8-10/h3-8H,1-2H3
InChIKeyLCSVHMYKPLSSPL-UHFFFAOYSA-N
MW393.88 g/mol
LogP2.89
Rot. Bonds3

About 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

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 (PubChem CID 142757270) has the molecular formula C15H12ClN5O2S2 and a molecular weight of 393.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID142757270
Molecular FormulaC15H12ClN5O2S2
Molecular Weight393.88 g/mol
Exact Mass393.01
IUPAC Name10-(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
SMILESCN(C)c1nc2c(S(=O)(=O)c3cccc(Cl)c3)nnn2c2ccsc12
InChIInChI=1S/C15H12ClN5O2S2/c1-20(2)13-12-11(6-7-24-12)21-14(17-13)15(18-19-21)25(22,23)10-5-3-4-9(16)8-10/h3-8H,1-2H3
InChIKeyLCSVHMYKPLSSPL-UHFFFAOYSA-N
XLogP2.89
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)c1nc2c(S(=O)(=O)c3cccc(Cl)c3)nnn2c2ccsc12.
What is the InChIKey of 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?
The InChIKey is LCSVHMYKPLSSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2S2/c1-20(2)13-12-11(6-7-24-12)21-14(17-13)15(18-19-21)25(22,23)10-5-3-4-9(16)8-10/h3-8H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 393.88 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142757270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).