1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide

C22H22F2N4O4S — CID 53102493

IUPAC1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cnn(C(F)F)c4C)cc32)cc1
InChIInChI=1S/C22H22F2N4O4S/c1-14-20(13-25-28(14)22(23)24)33(30,31)26-12-15-3-4-16-9-10-27(19(16)11-15)21(29)17-5-7-18(32-2)8-6-17/h3-8,11,13,22,26H,9-10,12H2,1-2H3
InChIKeyBHZMYJROJDDQHD-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.28
Rot. Bonds7

About 1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide

1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide (PubChem CID 53102493) has the molecular formula C22H22F2N4O4S and a molecular weight of 476.51 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide
PubChem CID53102493
Molecular FormulaC22H22F2N4O4S
Molecular Weight476.51 g/mol
Exact Mass476.13
IUPAC Name1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cnn(C(F)F)c4C)cc32)cc1
InChIInChI=1S/C22H22F2N4O4S/c1-14-20(13-25-28(14)22(23)24)33(30,31)26-12-15-3-4-16-9-10-27(19(16)11-15)21(29)17-5-7-18(32-2)8-6-17/h3-8,11,13,22,26H,9-10,12H2,1-2H3
InChIKeyBHZMYJROJDDQHD-UHFFFAOYSA-N
XLogP3.28
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide
CID 53092652
N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]propanamide
CID 53099278
2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102632
5-fluoro-2-methyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102645
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 53009052
3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099251
N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53102636
2-cyclopentyl-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099268
ethyl (2S)-2-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]propanoate
CID 95081927
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099252
3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 53102643
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide (CID 53102493) is 1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide is COc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cnn(C(F)F)c4C)cc32)cc1.
What is the InChIKey of 1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide?
The InChIKey is BHZMYJROJDDQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O4S/c1-14-20(13-25-28(14)22(23)24)33(30,31)26-12-15-3-4-16-9-10-27(19(16)11-15)21(29)17-5-7-18(32-2)8-6-17/h3-8,11,13,22,26H,9-10,12H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide has a molecular weight of 476.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 53102493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).