N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide

C21H19ClF2N4O3S — CID 53009042

IUPACN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)cnn1C(F)F
InChIInChI=1S/C21H19ClF2N4O3S/c1-13-19(12-25-28(13)21(23)24)32(30,31)26-11-14-2-7-18-16(10-14)8-9-27(18)20(29)15-3-5-17(22)6-4-15/h2-7,10,12,21,26H,8-9,11H2,1H3
InChIKeyGLOZQCMSROPXAE-UHFFFAOYSA-N
MW480.92 g/mol
LogP3.92
Rot. Bonds6

About N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide

N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide (PubChem CID 53009042) has the molecular formula C21H19ClF2N4O3S and a molecular weight of 480.92 g/mol. Its IUPAC name is N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
PubChem CID53009042
Molecular FormulaC21H19ClF2N4O3S
Molecular Weight480.92 g/mol
Exact Mass480.08
IUPAC NameN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)cnn1C(F)F
InChIInChI=1S/C21H19ClF2N4O3S/c1-13-19(12-25-28(13)21(23)24)32(30,31)26-11-14-2-7-18-16(10-14)8-9-27(18)20(29)15-3-5-17(22)6-4-15/h2-7,10,12,21,26H,8-9,11H2,1H3
InChIKeyGLOZQCMSROPXAE-UHFFFAOYSA-N
XLogP3.92
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide with MolForge

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Related Compounds

US9656955, Example 42
CID 90404251
US9656955, Example 41
CID 90404446
US9656955, Example 38
CID 90404713
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 16033073
N-[(1-benzoyl-2,3-dihydro-1H-indol-5-yl)methyl]-1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 53009032
N-(3-chloro-4-fluoro-phenyl)-5-fluoro-2-methyl-6-[(1-methylpyrazol-4-yl)sulfonylamino]indazole-3-carboxamide
CID 172053939
N-(3-chloro-4-fluoro-phenyl)-4-fluoro-2-methyl-6-[(1-methylpyrazol-4-yl)sulfonylamino]indazole-3-carboxamide
CID 172053940
N-(3-chloro-4-fluoro-phenyl)-6-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]sulfonylamino]-4-fluoro-2-methyl-indazole-3-carboxamide
CID 172053970
N-(3-chloro-4-fluoro-phenyl)-6-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]-2-methyl-indazole-3-carboxamide
CID 172054023
N-(3-chloro-4-fluoro-phenyl)-6-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-methyl-indazole-3-carboxamide
CID 172054024
N-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-6-[(1-methylpyrazol-4-yl)sulfonylamino]indazole-3-carboxamide
CID 172054320
N-(3-chloro-4-fluoro-phenyl)-2-methyl-6-[(1-methylpyrazol-4-yl)sulfonylamino]indazole-3-carboxamide
CID 172054323

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide (CID 53009042) is N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)cnn1C(F)F.
What is the InChIKey of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The InChIKey is GLOZQCMSROPXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O3S/c1-13-19(12-25-28(13)21(23)24)32(30,31)26-11-14-2-7-18-16(10-14)8-9-27(18)20(29)15-3-5-17(22)6-4-15/h2-7,10,12,21,26H,8-9,11H2,1H3.
What are the key properties of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide has a molecular weight of 480.92 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 53009042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).