4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide

C19H16N4O3S — CID 166485124

IUPAC4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)/C(=C/c2ccn[nH]2)C(=O)N3)cc1
InChIInChI=1S/C19H16N4O3S/c1-12-2-5-15(6-3-12)27(25,26)23-14-4-7-18-16(11-14)17(19(24)21-18)10-13-8-9-20-22-13/h2-11,23H,1H3,(H,20,22)(H,21,24)/b17-10-
InChIKeyDYGARFGUUQRBEB-YVLHZVERSA-N
MW380.43 g/mol
LogP3.01
Rot. Bonds4

About 4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide

4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide (PubChem CID 166485124) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide
PubChem CID166485124
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)/C(=C/c2ccn[nH]2)C(=O)N3)cc1
InChIInChI=1S/C19H16N4O3S/c1-12-2-5-15(6-3-12)27(25,26)23-14-4-7-18-16(11-14)17(19(24)21-18)10-13-8-9-20-22-13/h2-11,23H,1H3,(H,20,22)(H,21,24)/b17-10-
InChIKeyDYGARFGUUQRBEB-YVLHZVERSA-N
XLogP3.01
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide (CID 166485124) is 4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)/C(=C/c2ccn[nH]2)C(=O)N3)cc1.
What is the InChIKey of 4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide?
The InChIKey is DYGARFGUUQRBEB-YVLHZVERSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-12-2-5-15(6-3-12)27(25,26)23-14-4-7-18-16(11-14)17(19(24)21-18)10-13-8-9-20-22-13/h2-11,23H,1H3,(H,20,22)(H,21,24)/b17-10-.
What are the key properties of 4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide?
4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 166485124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).