N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide

C13H15ClN4O2S — CID 62152999

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)Cc2ccccc2Cl)cn1
InChIInChI=1S/C13H15ClN4O2S/c1-15-13-16-7-11(8-17-13)21(19,20)18(2)9-10-5-3-4-6-12(10)14/h3-8H,9H2,1-2H3,(H,15,16,17)
InChIKeyDIGBPSWJKQARLN-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.99
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide

N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62152999) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62152999
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)Cc2ccccc2Cl)cn1
InChIInChI=1S/C13H15ClN4O2S/c1-15-13-16-7-11(8-17-13)21(19,20)18(2)9-10-5-3-4-6-12(10)14/h3-8H,9H2,1-2H3,(H,15,16,17)
InChIKeyDIGBPSWJKQARLN-UHFFFAOYSA-N
XLogP1.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62150452
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 65482585
N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 62145454
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
N-methyl-2-(methylamino)-N-phenylpyrimidine-5-sulfonamide
CID 62148831
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391554
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
CID 61414521

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide (CID 62152999) is N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)N(C)Cc2ccccc2Cl)cn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is DIGBPSWJKQARLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-15-13-16-7-11(8-17-13)21(19,20)18(2)9-10-5-3-4-6-12(10)14/h3-8H,9H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide?
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62152999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).