N-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide

C13H16N4O3S — CID 71790160

IUPACN-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1
InChIInChI=1S/C13H16N4O3S/c1-17(2)13-14-8-10(9-15-13)16-21(18,19)12-6-4-11(20-3)5-7-12/h4-9,16H,1-3H3
InChIKeyLGQGXBFLHFZHAZ-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.35
Rot. Bonds5

About N-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide

N-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide (PubChem CID 71790160) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
PubChem CID71790160
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1
InChIInChI=1S/C13H16N4O3S/c1-17(2)13-14-8-10(9-15-13)16-21(18,19)12-6-4-11(20-3)5-7-12/h4-9,16H,1-3H3
InChIKeyLGQGXBFLHFZHAZ-UHFFFAOYSA-N
XLogP1.35
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 669141
1-[(4-Methoxyphenyl)sulfonyl]-4-methylimidazole
CID 804716
2-{4-[(4-Methoxyphenyl)sulfonyl]piperazin-1-yl}-4,6-dimethylpyrimidine
CID 5300804
2-[4-(3,4-Dimethoxy-benzenesulfonyl)-piperazin-1-yl]-pyrimidine
CID 3159096
4-methoxy-N-(6-morpholino-3-pyridinyl)benzenesulfonamide
CID 3608807
4-ethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9115821
4-(2,2-Dimethylpropylamino)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-1-ynyl]pyrimidine-2-carbonitrile
CID 10367993
Sodium [3-(2-methoxyethoxy)benzene-1-sulfonyl](pyrimidin-2-yl)azanide
CID 23691021
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 57390852
2-{4-[(4-Ethoxyphenyl)sulfonyl]-1-piperazinyl}pyrimidine
CID 6469507
N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide
CID 2999922
2-{4-[(2,5-Dimethoxyphenyl)sulfonyl]piperazino}pyrimidine
CID 3741741

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide (CID 71790160) is N-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1.
What is the InChIKey of N-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide?
The InChIKey is LGQGXBFLHFZHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-17(2)13-14-8-10(9-15-13)16-21(18,19)12-6-4-11(20-3)5-7-12/h4-9,16H,1-3H3.
What are the key properties of N-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide?
N-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pyrimidin-5-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71790160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).