2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide

C14H17ClN4O2S — CID 72718438

IUPAC2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C14H17ClN4O2S/c1-10-8-11(18-14(17-10)19(2)3)9-16-22(20,21)13-7-5-4-6-12(13)15/h4-8,16H,9H2,1-3H3
InChIKeyJCYHWMWDFWXRPN-UHFFFAOYSA-N
MW340.84 g/mol
LogP1.98
Rot. Bonds5

About 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide

2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide (PubChem CID 72718438) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
PubChem CID72718438
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC Name2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C14H17ClN4O2S/c1-10-8-11(18-14(17-10)19(2)3)9-16-22(20,21)13-7-5-4-6-12(13)15/h4-8,16H,9H2,1-3H3
InChIKeyJCYHWMWDFWXRPN-UHFFFAOYSA-N
XLogP1.98
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 91967648
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 122354177
4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine
CID 100690186
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide
CID 122354155
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-nitrobenzenesulfonamide
CID 122354206
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide
CID 167829406
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 91967663
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122354167
1-(1,2-benzoxazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]methanesulfonamide
CID 122354165
2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide
CID 110869709
2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660340

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide (CID 72718438) is 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccccc2Cl)nc(N(C)C)n1.
What is the InChIKey of 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is JCYHWMWDFWXRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c1-10-8-11(18-14(17-10)19(2)3)9-16-22(20,21)13-7-5-4-6-12(13)15/h4-8,16H,9H2,1-3H3.
What are the key properties of 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide?
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 340.84 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 72718438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).