3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide

C19H16BrN3O3S — CID 35033473

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C19H16BrN3O3S/c1-13-4-3-11-21-18(13)22-19(24)14-5-2-6-16(12-14)23-27(25,26)17-9-7-15(20)8-10-17/h2-12,23H,1H3,(H,21,22,24)
InChIKeyZGJASWYTQGZXCB-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.21
Rot. Bonds5

About 3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide

3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 35033473) has the molecular formula C19H16BrN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID35033473
Molecular FormulaC19H16BrN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.01
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C19H16BrN3O3S/c1-13-4-3-11-21-18(13)22-19(24)14-5-2-6-16(12-14)23-27(25,26)17-9-7-15(20)8-10-17/h2-12,23H,1H3,(H,21,22,24)
InChIKeyZGJASWYTQGZXCB-UHFFFAOYSA-N
XLogP4.21
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-methyl-2-pyridinyl)benzamide
CID 35033379
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 35032875
3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30864927
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111798
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 39031623
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043
N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide
CID 170977094
3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 18161967

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide (CID 35033473) is 3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide is Cc1cccnc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is ZGJASWYTQGZXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S/c1-13-4-3-11-21-18(13)22-19(24)14-5-2-6-16(12-14)23-27(25,26)17-9-7-15(20)8-10-17/h2-12,23H,1H3,(H,21,22,24).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide?
3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 446.33 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 35033473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).