N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C11H10ClN3O4S — CID 7253860

IUPACN-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1Cl
InChIInChI=1S/C11H10ClN3O4S/c1-6-2-3-7(4-8(6)12)15-20(18,19)9-5-13-11(17)14-10(9)16/h2-5,15H,1H3,(H2,13,14,16,17)
InChIKeySQRLKUMEVBGGSS-UHFFFAOYSA-N
MW315.74 g/mol
LogP0.83
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 7253860) has the molecular formula C11H10ClN3O4S and a molecular weight of 315.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID7253860
Molecular FormulaC11H10ClN3O4S
Molecular Weight315.74 g/mol
Exact Mass315.01
IUPAC NameN-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1Cl
InChIInChI=1S/C11H10ClN3O4S/c1-6-2-3-7(4-8(6)12)15-20(18,19)9-5-13-11(17)14-10(9)16/h2-5,15H,1H3,(H2,13,14,16,17)
InChIKeySQRLKUMEVBGGSS-UHFFFAOYSA-N
XLogP0.83
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7161234
N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7244628
N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7244632
2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide
CID 43980578
N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7635718
N-(1H-indazol-6-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 21008102
5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43172845
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide
CID 177371316
N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146076584
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 7253860) is N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is SQRLKUMEVBGGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4S/c1-6-2-3-7(4-8(6)12)15-20(18,19)9-5-13-11(17)14-10(9)16/h2-5,15H,1H3,(H2,13,14,16,17).
What are the key properties of N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 315.74 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 7253860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).