N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

C30H26F3N7O8S2 — CID 68559099

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.COc1ncc(F)c2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12
InChIInChI=1S/C18H18N2O5S.C12H8F3N5O3S/c1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13;1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22);2-5,19H,1H3
InChIKeyXHUKASOQTUOJEW-UHFFFAOYSA-N
MW733.71 g/mol
LogP3.06
Rot. Bonds10

About N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (PubChem CID 68559099) has the molecular formula C30H26F3N7O8S2 and a molecular weight of 733.71 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
PubChem CID68559099
Molecular FormulaC30H26F3N7O8S2
Molecular Weight733.71 g/mol
Exact Mass733.12
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.COc1ncc(F)c2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12
InChIInChI=1S/C18H18N2O5S.C12H8F3N5O3S/c1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13;1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22);2-5,19H,1H3
InChIKeyXHUKASOQTUOJEW-UHFFFAOYSA-N
XLogP3.06
TPSA200.05 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.71
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Related Compounds

N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane
CID 158137226
N-cyclohexyl-4-[(2,6-difluorophenyl)sulfamoyl]benzamide
CID 109059522
N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
CID 68554872
N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide
CID 69007321
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641
N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
CID 87494709
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
(2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide
CID 86315581
N-[3-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxypyridine-3-carboxamide
CID 141007488
N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid
CID 68555021
N-cyclopentyl-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164199
methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 17496883

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CID 68559099) is N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.COc1ncc(F)c2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The InChIKey is XHUKASOQTUOJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S.C12H8F3N5O3S/c1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13;1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22);2-5,19H,1H3.
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide has a molecular weight of 733.71 g/mol, XLogP of 3.06, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 68559099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).