N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide

C14H14BrN3O3S — CID 110614688

IUPACN-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)nc2)c1
InChIInChI=1S/C14H14BrN3O3S/c1-18(2)22(20,21)12-5-3-4-10(8-12)14(19)17-11-6-7-13(15)16-9-11/h3-9H,1-2H3,(H,17,19)
InChIKeyFFYORFUDTJUPGR-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.35
Rot. Bonds4

About N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide

N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 110614688) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide
PubChem CID110614688
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC NameN-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)nc2)c1
InChIInChI=1S/C14H14BrN3O3S/c1-18(2)22(20,21)12-5-3-4-10(8-12)14(19)17-11-6-7-13(15)16-9-11/h3-9H,1-2H3,(H,17,19)
InChIKeyFFYORFUDTJUPGR-UHFFFAOYSA-N
XLogP2.35
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
3-[[5-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-pyridinyl]oxy]benzamide
CID 71701978
3-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795483
3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 4800647
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 100625475
3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100624777
3-(dimethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 4030304
3-(dimethylsulfamoyl)-N-(9H-fluoren-3-yl)benzamide
CID 8699331
N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119515813
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591093

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide (CID 110614688) is N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)nc2)c1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is FFYORFUDTJUPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c1-18(2)22(20,21)12-5-3-4-10(8-12)14(19)17-11-6-7-13(15)16-9-11/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide?
N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 384.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 110614688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).