N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide

C11H10BrN3O2S — CID 11001969

IUPACN-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(Br)cn2)cc1
InChIInChI=1S/C11H10BrN3O2S/c1-8-2-4-10(5-3-8)18(16,17)15-11-13-6-9(12)7-14-11/h2-7H,1H3,(H,13,14,15)
InChIKeyDJVKPXCLNPLPPI-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.35
Rot. Bonds3

About N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide

N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 11001969) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
PubChem CID11001969
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC NameN-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(Br)cn2)cc1
InChIInChI=1S/C11H10BrN3O2S/c1-8-2-4-10(5-3-8)18(16,17)15-11-13-6-9(12)7-14-11/h2-7H,1H3,(H,13,14,15)
InChIKeyDJVKPXCLNPLPPI-UHFFFAOYSA-N
XLogP2.35
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661
N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169370170
N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 3852469
5-bromo-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 63873584
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-(4-bromo-2,6-diiodophenyl)-4-methylbenzenesulfonamide
CID 169370885
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619
N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide
CID 169372007
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 62144386

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide (CID 11001969) is N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is DJVKPXCLNPLPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c1-8-2-4-10(5-3-8)18(16,17)15-11-13-6-9(12)7-14-11/h2-7H,1H3,(H,13,14,15).
What are the key properties of N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide?
N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 328.19 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 11001969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).