N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide

C18H24N4O4S — CID 17139394

IUPACN-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide
SMILESO=c1n(-c2ccc(S(=O)(=O)NC3CCCCCC3)cc2)c(=O)n2n1CCC2
InChIInChI=1S/C18H24N4O4S/c23-17-20-12-5-13-21(20)18(24)22(17)15-8-10-16(11-9-15)27(25,26)19-14-6-3-1-2-4-7-14/h8-11,14,19H,1-7,12-13H2
InChIKeyOMNQYRBLXINXKU-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.21
Rot. Bonds4

About N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide

N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide (PubChem CID 17139394) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide
PubChem CID17139394
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide
SMILESO=c1n(-c2ccc(S(=O)(=O)NC3CCCCCC3)cc2)c(=O)n2n1CCC2
InChIInChI=1S/C18H24N4O4S/c23-17-20-12-5-13-21(20)18(24)22(17)15-8-10-16(11-9-15)27(25,26)19-14-6-3-1-2-4-7-14/h8-11,14,19H,1-7,12-13H2
InChIKeyOMNQYRBLXINXKU-UHFFFAOYSA-N
XLogP1.21
TPSA95.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-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

Related Compounds

N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695550
N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096700
N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 146711957
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide?
The IUPAC name of N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide (CID 17139394) is N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide is O=c1n(-c2ccc(S(=O)(=O)NC3CCCCCC3)cc2)c(=O)n2n1CCC2.
What is the InChIKey of N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide?
The InChIKey is OMNQYRBLXINXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c23-17-20-12-5-13-21(20)18(24)22(17)15-8-10-16(11-9-15)27(25,26)19-14-6-3-1-2-4-7-14/h8-11,14,19H,1-7,12-13H2.
What are the key properties of N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide?
N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 17139394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).