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

C13H14ClN3O4S — CID 7196405

IUPACN-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H14ClN3O4S/c1-8-9(14)5-4-6-10(8)15-22(20,21)11-7-16(2)13(19)17(3)12(11)18/h4-7,15H,1-3H3
InChIKeyKLMIMYLXHLHMLP-UHFFFAOYSA-N
MW343.79 g/mol
LogP0.85
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 7196405) has the molecular formula C13H14ClN3O4S and a molecular weight of 343.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID7196405
Molecular FormulaC13H14ClN3O4S
Molecular Weight343.79 g/mol
Exact Mass343.04
IUPAC NameN-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H14ClN3O4S/c1-8-9(14)5-4-6-10(8)15-22(20,21)11-7-16(2)13(19)17(3)12(11)18/h4-7,15H,1-3H3
InChIKeyKLMIMYLXHLHMLP-UHFFFAOYSA-N
XLogP0.85
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475140
N-(2-chloro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 103604457
N-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196326
N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 156749782
(2,6-dichlorophenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate
CID 7475265
N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196374
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 112799229
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 115916977
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106057318
N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475132
N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349940

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 7196405) is N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is KLMIMYLXHLHMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O4S/c1-8-9(14)5-4-6-10(8)15-22(20,21)11-7-16(2)13(19)17(3)12(11)18/h4-7,15H,1-3H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 343.79 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7196405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).