N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide

C19H20N4O3S — CID 1219115

IUPACN,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-18(19(24)23(21-14)16-7-5-4-6-8-16)13-20-15-9-11-17(12-10-15)27(25,26)22(2)3/h4-13,21H,1-3H3/b20-13+
InChIKeyPZDDPTAXEJXBTE-DEDYPNTBSA-N
MW384.46 g/mol
LogP2.47
Rot. Bonds5

About N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide

N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide (PubChem CID 1219115) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide
PubChem CID1219115
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-18(19(24)23(21-14)16-7-5-4-6-8-16)13-20-15-9-11-17(12-10-15)27(25,26)22(2)3/h4-13,21H,1-3H3/b20-13+
InChIKeyPZDDPTAXEJXBTE-DEDYPNTBSA-N
XLogP2.47
TPSA87.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-[(phenylamino)methylene]-
CID 107513
1-[4-(Aminosulfonyl)phenyl]-1,6-dihydropyrazolo[3,4-E]indazole-3-carboxamide
CID 5331010
Dihydro-benzodipyrazole deriv. 7b
CID 5331012
Dihydro-benzodipyrazole deriv. 7c
CID 5331014
Dihydro-benzodipyrazole deriv. 7d
CID 5331016
Dihydro-benzodipyrazole deriv. 7e
CID 5331018
4-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzenesulfonamide
CID 1032881
Benzenesulfonamide, N-isopropyl-4-(4-isopropyl-2,3-dimethyl-5-oxo-2,5-dihydropyrazol-1-yl)-
CID 1504736
4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methyl]amino} benzene sulfonamide (5f)
CID 86766203
Dihydro-benzodipyrazole deriv. 9d
CID 5331075
4-(3-Methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 18756435
4-[4-(Azepan-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide
CID 155560798

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide (CID 1219115) is N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide is Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide?
The InChIKey is PZDDPTAXEJXBTE-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-18(19(24)23(21-14)16-7-5-4-6-8-16)13-20-15-9-11-17(12-10-15)27(25,26)22(2)3/h4-13,21H,1-3H3/b20-13+.
What are the key properties of N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide?
N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 1219115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).