3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide

C19H16N4O3S — CID 173493581

IUPAC3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide
SMILESCc1[nH]n(-c2cccc(S(N)(=O)=O)c2)c(=O)c1C=c1ccc2c(c1)N=CC=2
InChIInChI=1S/C19H16N4O3S/c1-12-17(9-13-5-6-14-7-8-21-18(14)10-13)19(24)23(22-12)15-3-2-4-16(11-15)27(20,25)26/h2-11,22H,1H3,(H2,20,25,26)
InChIKeyDUWTZKRCLDMRCN-UHFFFAOYSA-N
MW380.43 g/mol
LogP0.45
Rot. Bonds3

About 3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide

3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide (PubChem CID 173493581) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide
PubChem CID173493581
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide
SMILESCc1[nH]n(-c2cccc(S(N)(=O)=O)c2)c(=O)c1C=c1ccc2c(c1)N=CC=2
InChIInChI=1S/C19H16N4O3S/c1-12-17(9-13-5-6-14-7-8-21-18(14)10-13)19(24)23(22-12)15-3-2-4-16(11-15)27(20,25)26/h2-11,22H,1H3,(H2,20,25,26)
InChIKeyDUWTZKRCLDMRCN-UHFFFAOYSA-N
XLogP0.45
TPSA110.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
Dihydro-benzodipyrazole deriv. 9d
CID 5331075
4-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzenesulfonamide
CID 3698265
N-carbamimidoyl-4-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzenesulfonamide
CID 3277810
N,N-dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzenesulfonamide
CID 1219115
N-carbamoyl-4-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzenesulfonamide
CID 3822074
4-({[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-N,N-dimethylbenzenesulfonamide
CID 1202993
3-(3-Methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-YL)-benzenesulfonamide
CID 20067040

Frequently Asked Questions

What is the IUPAC name of 3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide (CID 173493581) is 3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide is Cc1[nH]n(-c2cccc(S(N)(=O)=O)c2)c(=O)c1C=c1ccc2c(c1)N=CC=2.
What is the InChIKey of 3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide?
The InChIKey is DUWTZKRCLDMRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-12-17(9-13-5-6-14-7-8-21-18(14)10-13)19(24)23(22-12)15-3-2-4-16(11-15)27(20,25)26/h2-11,22H,1H3,(H2,20,25,26).
What are the key properties of 3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide?
3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 173493581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).