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

C29H28Cl2F2N6O8S2 — CID 68554872

IUPACN-[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
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F
InChIInChI=1S/C18H18N2O5S.C11H10Cl2F2N4O3S/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;1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22);3-4,10,17H,1-2H3
InChIKeyLAOPHJUCGOBXKK-UHFFFAOYSA-N
MW761.61 g/mol
LogP4.12
Rot. Bonds10

About 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

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 (PubChem CID 68554872) has the molecular formula C29H28Cl2F2N6O8S2 and a molecular weight of 761.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID68554872
Molecular FormulaC29H28Cl2F2N6O8S2
Molecular Weight761.61 g/mol
Exact Mass760.08
IUPAC NameN-[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
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F
InChIInChI=1S/C18H18N2O5S.C11H10Cl2F2N4O3S/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;1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22);3-4,10,17H,1-2H3
InChIKeyLAOPHJUCGOBXKK-UHFFFAOYSA-N
XLogP4.12
TPSA187.56 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.61
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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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-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide
CID 69007321
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
(carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium
CID 173262802
1-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]-3-phenylurea
CID 24814514
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-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
CID 87494709
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;(4-chloro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
CID 70135756
2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide
CID 174958314
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 122424079
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 2668895

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F.
What is the InChIKey of 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?
The InChIKey is LAOPHJUCGOBXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S.C11H10Cl2F2N4O3S/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;1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22);3-4,10,17H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 761.61 g/mol, XLogP of 4.12, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 68554872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).