N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide

C14H18N4O3S — CID 122322701

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C14H18N4O3S/c1-18(2)14-8-9-15-13(17-14)10-16-22(19,20)12-7-5-4-6-11(12)21-3/h4-9,16H,10H2,1-3H3
InChIKeyRCCVOUWXGOEZHS-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.03
Rot. Bonds6

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 122322701) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide
PubChem CID122322701
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C14H18N4O3S/c1-18(2)14-8-9-15-13(17-14)10-16-22(19,20)12-7-5-4-6-11(12)21-3/h4-9,16H,10H2,1-3H3
InChIKeyRCCVOUWXGOEZHS-UHFFFAOYSA-N
XLogP1.03
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 91967076
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 121137624
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253379
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 122322703
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide
CID 122322384
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
5-fluoro-2-methoxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318624
1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide
CID 122322658
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide
CID 122322649
2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177465
2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide
CID 121137631

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide (CID 122322701) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCc1nccc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is RCCVOUWXGOEZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-18(2)14-8-9-15-13(17-14)10-16-22(19,20)12-7-5-4-6-11(12)21-3/h4-9,16H,10H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 122322701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).