N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide

C21H19BrN2O3S — CID 27374782

IUPACN-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)c(C)c3)cn2)cc1C
InChIInChI=1S/C21H19BrN2O3S/c1-13-4-7-18(11-14(13)2)28(26,27)20-9-5-16(12-23-20)21(25)24-17-6-8-19(22)15(3)10-17/h4-12H,1-3H3,(H,24,25)
InChIKeyBCHHOXYCBFPLRN-UHFFFAOYSA-N
MW459.37 g/mol
LogP4.85
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide

N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide (PubChem CID 27374782) has the molecular formula C21H19BrN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide
PubChem CID27374782
Molecular FormulaC21H19BrN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.03
IUPAC NameN-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)c(C)c3)cn2)cc1C
InChIInChI=1S/C21H19BrN2O3S/c1-13-4-7-18(11-14(13)2)28(26,27)20-9-5-16(12-23-20)21(25)24-17-6-8-19(22)15(3)10-17/h4-12H,1-3H3,(H,24,25)
InChIKeyBCHHOXYCBFPLRN-UHFFFAOYSA-N
XLogP4.85
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 55036943
5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide
CID 47460528
N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 4264331
6-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 53002958
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide
CID 19062672
N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247227
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266734
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109265249
N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109266029

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide (CID 27374782) is N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide is Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)c(C)c3)cn2)cc1C.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide?
The InChIKey is BCHHOXYCBFPLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S/c1-13-4-7-18(11-14(13)2)28(26,27)20-9-5-16(12-23-20)21(25)24-17-6-8-19(22)15(3)10-17/h4-12H,1-3H3,(H,24,25).
What are the key properties of N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide has a molecular weight of 459.37 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-6-(3,4-dimethylphenyl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 27374782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).