3-bromo-N-pyrimidin-5-ylbenzenesulfonamide

C10H8BrN3O2S — CID 104856633

IUPAC3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cncnc1)c1cccc(Br)c1
InChIInChI=1S/C10H8BrN3O2S/c11-8-2-1-3-10(4-8)17(15,16)14-9-5-12-7-13-6-9/h1-7,14H
InChIKeySNAYTISQTGISMI-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.04
Rot. Bonds3

About 3-bromo-N-pyrimidin-5-ylbenzenesulfonamide

3-bromo-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 104856633) has the molecular formula C10H8BrN3O2S and a molecular weight of 314.16 g/mol. Its IUPAC name is 3-bromo-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID104856633
Molecular FormulaC10H8BrN3O2S
Molecular Weight314.16 g/mol
Exact Mass312.95
IUPAC Name3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cncnc1)c1cccc(Br)c1
InChIInChI=1S/C10H8BrN3O2S/c11-8-2-1-3-10(4-8)17(15,16)14-9-5-12-7-13-6-9/h1-7,14H
InChIKeySNAYTISQTGISMI-UHFFFAOYSA-N
XLogP2.04
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589119
3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62399730
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588975
2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587465
4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856694
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588979
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 5019685

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-pyrimidin-5-ylbenzenesulfonamide (CID 104856633) is 3-bromo-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-pyrimidin-5-ylbenzenesulfonamide is O=S(=O)(Nc1cncnc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is SNAYTISQTGISMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2S/c11-8-2-1-3-10(4-8)17(15,16)14-9-5-12-7-13-6-9/h1-7,14H.
What are the key properties of 3-bromo-N-pyrimidin-5-ylbenzenesulfonamide?
3-bromo-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 314.16 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 104856633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).