3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide

C19H18N4O3S — CID 154863606

IUPAC3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(-c4ccccc4)[nH]n3)cc21
InChIInChI=1S/C19H18N4O3S/c1-19(2)14-10-13(8-9-15(14)20-18(19)24)27(25,26)23-17-11-16(21-22-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,24)(H2,21,22,23)
InChIKeyPHPXBJFIVAQRAF-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.11
Rot. Bonds4

About 3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide

3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide (PubChem CID 154863606) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide
PubChem CID154863606
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(-c4ccccc4)[nH]n3)cc21
InChIInChI=1S/C19H18N4O3S/c1-19(2)14-10-13(8-9-15(14)20-18(19)24)27(25,26)23-17-11-16(21-22-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,24)(H2,21,22,23)
InChIKeyPHPXBJFIVAQRAF-UHFFFAOYSA-N
XLogP3.11
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide
CID 167808491
N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384518
N-(2,6-difluorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384568
3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110868216
3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 110384507
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110675394
4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 154780485
N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921805
N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56687358
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110281087
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110281086

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide?
The IUPAC name of 3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide (CID 154863606) is 3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide?
The canonical SMILES for 3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide is CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(-c4ccccc4)[nH]n3)cc21.
What is the InChIKey of 3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide?
The InChIKey is PHPXBJFIVAQRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-19(2)14-10-13(8-9-15(14)20-18(19)24)27(25,26)23-17-11-16(21-22-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,24)(H2,21,22,23).
What are the key properties of 3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide?
3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide has a molecular weight of 382.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 154863606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).