2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide

C14H16Cl2N4O2S — CID 91967648

IUPAC2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C14H16Cl2N4O2S/c1-9-6-11(19-14(18-9)20(2)3)8-17-23(21,22)13-7-10(15)4-5-12(13)16/h4-7,17H,8H2,1-3H3
InChIKeyBKQGIKQSFKGLLF-UHFFFAOYSA-N
MW375.28 g/mol
LogP2.64
Rot. Bonds5

About 2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide

2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide (PubChem CID 91967648) has the molecular formula C14H16Cl2N4O2S and a molecular weight of 375.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
PubChem CID91967648
Molecular FormulaC14H16Cl2N4O2S
Molecular Weight375.28 g/mol
Exact Mass374.04
IUPAC Name2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C14H16Cl2N4O2S/c1-9-6-11(19-14(18-9)20(2)3)8-17-23(21,22)13-7-10(15)4-5-12(13)16/h4-7,17H,8H2,1-3H3
InChIKeyBKQGIKQSFKGLLF-UHFFFAOYSA-N
XLogP2.64
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 72718438
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 122354177
N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide
CID 122354155
2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 47137013
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide
CID 167829406
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 91967663
2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207837
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-nitrobenzenesulfonamide
CID 122354206
2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 17248785
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122354167
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122253077
(E)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide
CID 122354135

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide (CID 91967648) is 2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)nc(N(C)C)n1.
What is the InChIKey of 2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is BKQGIKQSFKGLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O2S/c1-9-6-11(19-14(18-9)20(2)3)8-17-23(21,22)13-7-10(15)4-5-12(13)16/h4-7,17H,8H2,1-3H3.
What are the key properties of 2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide?
2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 375.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 91967648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).