4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide

C14H16BrN3O3S — CID 71795219

IUPAC4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ncn(CCNS(=O)(=O)c2ccc(Br)cc2)c(=O)c1C
InChIInChI=1S/C14H16BrN3O3S/c1-10-11(2)16-9-18(14(10)19)8-7-17-22(20,21)13-5-3-12(15)4-6-13/h3-6,9,17H,7-8H2,1-2H3
InChIKeyVJMCSFMQEAQIGV-UHFFFAOYSA-N
MW386.27 g/mol
LogP1.60
Rot. Bonds5

About 4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide

4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 71795219) has the molecular formula C14H16BrN3O3S and a molecular weight of 386.27 g/mol. Its IUPAC name is 4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide
PubChem CID71795219
Molecular FormulaC14H16BrN3O3S
Molecular Weight386.27 g/mol
Exact Mass385.01
IUPAC Name4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ncn(CCNS(=O)(=O)c2ccc(Br)cc2)c(=O)c1C
InChIInChI=1S/C14H16BrN3O3S/c1-10-11(2)16-9-18(14(10)19)8-7-17-22(20,21)13-5-3-12(15)4-6-13/h3-6,9,17H,7-8H2,1-2H3
InChIKeyVJMCSFMQEAQIGV-UHFFFAOYSA-N
XLogP1.60
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 71795223
4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516400
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
4-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
CID 22207644
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
1-[2-[(4-bromophenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
CID 107497958
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121120778
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 90516373
4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide (CID 71795219) is 4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide is Cc1ncn(CCNS(=O)(=O)c2ccc(Br)cc2)c(=O)c1C.
What is the InChIKey of 4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is VJMCSFMQEAQIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3S/c1-10-11(2)16-9-18(14(10)19)8-7-17-22(20,21)13-5-3-12(15)4-6-13/h3-6,9,17H,7-8H2,1-2H3.
What are the key properties of 4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide?
4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 386.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71795219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).