N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C12H12BrN3O4S — CID 7475132

IUPACN-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(Br)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C12H12BrN3O4S/c1-15-7-10(11(17)16(2)12(15)18)21(19,20)14-9-5-3-8(13)4-6-9/h3-7,14H,1-2H3
InChIKeyCFCRVJIUPDAQDS-UHFFFAOYSA-N
MW374.22 g/mol
LogP0.65
Rot. Bonds3

About N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 7475132) has the molecular formula C12H12BrN3O4S and a molecular weight of 374.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID7475132
Molecular FormulaC12H12BrN3O4S
Molecular Weight374.22 g/mol
Exact Mass372.97
IUPAC NameN-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(Br)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C12H12BrN3O4S/c1-15-7-10(11(17)16(2)12(15)18)21(19,20)14-9-5-3-8(13)4-6-9/h3-7,14H,1-2H3
InChIKeyCFCRVJIUPDAQDS-UHFFFAOYSA-N
XLogP0.65
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196326
1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
CID 43540611
N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196374
N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60783708
(4-bromophenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate
CID 7475358
N-(2-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475140
N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60700424
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 115916977
N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196405
1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl fluoride
CID 122236176
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 75398626
N-(2-chloro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 103604457

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 7475132) is N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(Br)cc2)c(=O)n(C)c1=O.
What is the InChIKey of N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is CFCRVJIUPDAQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O4S/c1-15-7-10(11(17)16(2)12(15)18)21(19,20)14-9-5-3-8(13)4-6-9/h3-7,14H,1-2H3.
What are the key properties of N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 374.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7475132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).