3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide

C14H18ClN5O3S — CID 122253095

IUPAC3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccc(C)c(Cl)c2)nc(N(C)C)n1
InChIInChI=1S/C14H18ClN5O3S/c1-9-5-6-10(7-11(9)15)24(21,22)16-8-12-17-13(20(2)3)19-14(18-12)23-4/h5-7,16H,8H2,1-4H3
InChIKeyMQTWGDKJKWEZKI-UHFFFAOYSA-N
MW371.85 g/mol
LogP1.39
Rot. Bonds6

About 3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide

3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 122253095) has the molecular formula C14H18ClN5O3S and a molecular weight of 371.85 g/mol. Its IUPAC name is 3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID122253095
Molecular FormulaC14H18ClN5O3S
Molecular Weight371.85 g/mol
Exact Mass371.08
IUPAC Name3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccc(C)c(Cl)c2)nc(N(C)C)n1
InChIInChI=1S/C14H18ClN5O3S/c1-9-5-6-10(7-11(9)15)24(21,22)16-8-12-17-13(20(2)3)19-14(18-12)23-4/h5-7,16H,8H2,1-4H3
InChIKeyMQTWGDKJKWEZKI-UHFFFAOYSA-N
XLogP1.39
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122253077
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide
CID 122254003
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122253070
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide
CID 121137926
N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide
CID 121137623
3-chloro-4-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318010
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide
CID 121137631
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 121137624
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122252837
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide (CID 122253095) is 3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide is COc1nc(CNS(=O)(=O)c2ccc(C)c(Cl)c2)nc(N(C)C)n1.
What is the InChIKey of 3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is MQTWGDKJKWEZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O3S/c1-9-5-6-10(7-11(9)15)24(21,22)16-8-12-17-13(20(2)3)19-14(18-12)23-4/h5-7,16H,8H2,1-4H3.
What are the key properties of 3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide?
3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 371.85 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 122253095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).