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

C14H18ClN5O4S — CID 122253077

IUPAC5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2cc(Cl)ccc2OC)nc(N(C)C)n1
InChIInChI=1S/C14H18ClN5O4S/c1-20(2)13-17-12(18-14(19-13)24-4)8-16-25(21,22)11-7-9(15)5-6-10(11)23-3/h5-7,16H,8H2,1-4H3
InChIKeySXGFMIQDSIGNQQ-UHFFFAOYSA-N
MW387.85 g/mol
LogP1.09
Rot. Bonds7

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

5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 122253077) has the molecular formula C14H18ClN5O4S and a molecular weight of 387.85 g/mol. Its IUPAC name is 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide
PubChem CID122253077
Molecular FormulaC14H18ClN5O4S
Molecular Weight387.85 g/mol
Exact Mass387.08
IUPAC Name5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2cc(Cl)ccc2OC)nc(N(C)C)n1
InChIInChI=1S/C14H18ClN5O4S/c1-20(2)13-17-12(18-14(19-13)24-4)8-16-25(21,22)11-7-9(15)5-6-10(11)23-3/h5-7,16H,8H2,1-4H3
InChIKeySXGFMIQDSIGNQQ-UHFFFAOYSA-N
XLogP1.09
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide
CID 122252893
3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 122253095
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
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide
CID 122254003
N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide
CID 121137623
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 122252830
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide (CID 122253077) is 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide is COc1nc(CNS(=O)(=O)c2cc(Cl)ccc2OC)nc(N(C)C)n1.
What is the InChIKey of 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is SXGFMIQDSIGNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O4S/c1-20(2)13-17-12(18-14(19-13)24-4)8-16-25(21,22)11-7-9(15)5-6-10(11)23-3/h5-7,16H,8H2,1-4H3.
What are the key properties of 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 387.85 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 122253077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).