N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide

C24H26FN5O4S — CID 39717054

IUPACN,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c1
InChIInChI=1S/C24H26FN5O4S/c1-3-29(4-2)35(33,34)17-10-7-9-16(15-17)23(31)26-27-24(32)22-18-11-8-14-20(18)30(28-22)21-13-6-5-12-19(21)25/h5-7,9-10,12-13,15H,3-4,8,11,14H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyZYCASAITBMKGHM-UHFFFAOYSA-N
MW499.57 g/mol
LogP2.61
Rot. Bonds7

About N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide

N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 39717054) has the molecular formula C24H26FN5O4S and a molecular weight of 499.57 g/mol. Its IUPAC name is N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide
PubChem CID39717054
Molecular FormulaC24H26FN5O4S
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC NameN,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c1
InChIInChI=1S/C24H26FN5O4S/c1-3-29(4-2)35(33,34)17-10-7-9-16(15-17)23(31)26-27-24(32)22-18-11-8-14-20(18)30(28-22)21-13-6-5-12-19(21)25/h5-7,9-10,12-13,15H,3-4,8,11,14H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyZYCASAITBMKGHM-UHFFFAOYSA-N
XLogP2.61
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]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

1-(2-fluorophenyl)-N'-(2-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46452967
N-[3-(benzenesulfonamido)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55705967
N-(3-acetylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39040435
N-(2-amino-2-ethylbutyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119639834
N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46452896
N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
1-(2-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 76865905
1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46451658
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55689902
1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55797582
1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55688233
N-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39286728

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide (CID 39717054) is N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c1.
What is the InChIKey of N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is ZYCASAITBMKGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4S/c1-3-29(4-2)35(33,34)17-10-7-9-16(15-17)23(31)26-27-24(32)22-18-11-8-14-20(18)30(28-22)21-13-6-5-12-19(21)25/h5-7,9-10,12-13,15H,3-4,8,11,14H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide?
N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 499.57 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 39717054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).