2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide

C14H16ClN3O2S — CID 61040966

IUPAC2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2cnc(Cl)nc2)c(C)c1
InChIInChI=1S/C14H16ClN3O2S/c1-10-4-5-12(11(2)6-10)9-18(3)21(19,20)13-7-16-14(15)17-8-13/h4-8H,9H2,1-3H3
InChIKeyAHFGVIWNOVSRMT-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.57
Rot. Bonds4

About 2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide

2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide (PubChem CID 61040966) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide
PubChem CID61040966
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2cnc(Cl)nc2)c(C)c1
InChIInChI=1S/C14H16ClN3O2S/c1-10-4-5-12(11(2)6-10)9-18(3)21(19,20)13-7-16-14(15)17-8-13/h4-8H,9H2,1-3H3
InChIKeyAHFGVIWNOVSRMT-UHFFFAOYSA-N
XLogP2.57
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-5-sulfonamide
CID 61042674
5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61113670
N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 46458732
2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide
CID 43528240
(E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide
CID 8801139
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62152999
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 4796698
5-chloro-4-[(2,4-dimethylphenyl)methyl-methylamino]-1H-pyridazin-6-one
CID 15079115
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2,4-trimethylbenzenesulfonamide
CID 8778152
2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917420
4-[(2,4-dimethylphenyl)methyl-methylsulfamoyl]butanoic acid
CID 43362073

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide (CID 61040966) is 2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2cnc(Cl)nc2)c(C)c1.
What is the InChIKey of 2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide?
The InChIKey is AHFGVIWNOVSRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-10-4-5-12(11(2)6-10)9-18(3)21(19,20)13-7-16-14(15)17-8-13/h4-8H,9H2,1-3H3.
What are the key properties of 2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide?
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide is sourced from PubChem (CID 61040966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).