N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide

C20H21N5O3S — CID 56503653

IUPACN-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide
SMILESO=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(c1ccccc1)n1cccn1
InChIInChI=1S/C20H21N5O3S/c26-20(19(25-14-4-13-21-25)15-5-2-1-3-6-15)23-22-16-9-11-18(12-10-16)29(27,28)24-17-7-8-17/h1-6,9-14,17,19,22,24H,7-8H2,(H,23,26)
InChIKeyBTPADOLVMUJEJL-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.06
Rot. Bonds8

About N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide

N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide (PubChem CID 56503653) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide
PubChem CID56503653
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC NameN-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide
SMILESO=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(c1ccccc1)n1cccn1
InChIInChI=1S/C20H21N5O3S/c26-20(19(25-14-4-13-21-25)15-5-2-1-3-6-15)23-22-16-9-11-18(12-10-16)29(27,28)24-17-7-8-17/h1-6,9-14,17,19,22,24H,7-8H2,(H,23,26)
InChIKeyBTPADOLVMUJEJL-UHFFFAOYSA-N
XLogP2.06
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 119230000
(2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 97014680
(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-phenylacetamide
CID 37222509
N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide
CID 43055240
(2R)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 94822827
N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide
CID 56502755
2-phenyl-N-(1-propylpiperidin-4-yl)-2-pyrazol-1-ylacetamide
CID 51108379
4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide
CID 56566087
N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide
CID 56502746
4-(4-benzhydrylpiperazin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 25040590
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide (CID 56503653) is N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide is O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(c1ccccc1)n1cccn1.
What is the InChIKey of N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide?
The InChIKey is BTPADOLVMUJEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c26-20(19(25-14-4-13-21-25)15-5-2-1-3-6-15)23-22-16-9-11-18(12-10-16)29(27,28)24-17-7-8-17/h1-6,9-14,17,19,22,24H,7-8H2,(H,23,26).
What are the key properties of N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide?
N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide has a molecular weight of 411.49 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 56503653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).