N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C19H19ClN2O3S — CID 22584718

IUPACN-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESCC1C(=O)N2CCCc3cc(S(=O)(=O)NCc4ccc(Cl)cc4)cc1c32
InChIInChI=1S/C19H19ClN2O3S/c1-12-17-10-16(9-14-3-2-8-22(18(14)17)19(12)23)26(24,25)21-11-13-4-6-15(20)7-5-13/h4-7,9-10,12,21H,2-3,8,11H2,1H3
InChIKeyKGJJEBNLORHHDA-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.21
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 22584718) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID22584718
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESCC1C(=O)N2CCCc3cc(S(=O)(=O)NCc4ccc(Cl)cc4)cc1c32
InChIInChI=1S/C19H19ClN2O3S/c1-12-17-10-16(9-14-3-2-8-22(18(14)17)19(12)23)26(24,25)21-11-13-4-6-15(20)7-5-13/h4-7,9-10,12,21H,2-3,8,11H2,1H3
InChIKeyKGJJEBNLORHHDA-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 22584718) is N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is CC1C(=O)N2CCCc3cc(S(=O)(=O)NCc4ccc(Cl)cc4)cc1c32.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is KGJJEBNLORHHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-12-17-10-16(9-14-3-2-8-22(18(14)17)19(12)23)26(24,25)21-11-13-4-6-15(20)7-5-13/h4-7,9-10,12,21H,2-3,8,11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 390.89 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 22584718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).