N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide

C26H34N4O2S — CID 46179116

IUPACN-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(-c3ccc4c(c3)CN(C)CCC4)cc2)c(CC(C)C)nn1C
InChIInChI=1S/C26H34N4O2S/c1-18(2)15-25-26(19(3)30(5)27-25)28-33(31,32)24-12-10-21(11-13-24)22-9-8-20-7-6-14-29(4)17-23(20)16-22/h8-13,16,18,28H,6-7,14-15,17H2,1-5H3
InChIKeyGLLAAKIAMHKWQW-UHFFFAOYSA-N
MW466.65 g/mol
LogP4.77
Rot. Bonds6

About N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide

N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide (PubChem CID 46179116) has the molecular formula C26H34N4O2S and a molecular weight of 466.65 g/mol. Its IUPAC name is N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide
PubChem CID46179116
Molecular FormulaC26H34N4O2S
Molecular Weight466.65 g/mol
Exact Mass466.24
IUPAC NameN-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(-c3ccc4c(c3)CN(C)CCC4)cc2)c(CC(C)C)nn1C
InChIInChI=1S/C26H34N4O2S/c1-18(2)15-25-26(19(3)30(5)27-25)28-33(31,32)24-12-10-21(11-13-24)22-9-8-20-7-6-14-29(4)17-23(20)16-22/h8-13,16,18,28H,6-7,14-15,17H2,1-5H3
InChIKeyGLLAAKIAMHKWQW-UHFFFAOYSA-N
XLogP4.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.65
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide 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-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide?
The IUPAC name of N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide (CID 46179116) is N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide.
What is the SMILES notation for N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide?
The canonical SMILES for N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide is Cc1c(NS(=O)(=O)c2ccc(-c3ccc4c(c3)CN(C)CCC4)cc2)c(CC(C)C)nn1C.
What is the InChIKey of N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide?
The InChIKey is GLLAAKIAMHKWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2S/c1-18(2)15-25-26(19(3)30(5)27-25)28-33(31,32)24-12-10-21(11-13-24)22-9-8-20-7-6-14-29(4)17-23(20)16-22/h8-13,16,18,28H,6-7,14-15,17H2,1-5H3.
What are the key properties of N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide?
N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide has a molecular weight of 466.65 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzenesulfonamide is sourced from PubChem (CID 46179116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).