4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide

C17H19N3O2S — CID 82240327

IUPAC4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C3=NCCCN3)cc2)cc1
InChIInChI=1S/C17H19N3O2S/c1-13-3-9-16(10-4-13)23(21,22)20-15-7-5-14(6-8-15)17-18-11-2-12-19-17/h3-10,20H,2,11-12H2,1H3,(H,18,19)
InChIKeyPSLLSVWUSYOYBE-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.54
Rot. Bonds4

About 4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide

4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide (PubChem CID 82240327) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide
PubChem CID82240327
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C3=NCCCN3)cc2)cc1
InChIInChI=1S/C17H19N3O2S/c1-13-3-9-16(10-4-13)23(21,22)20-15-7-5-14(6-8-15)17-18-11-2-12-19-17/h3-10,20H,2,11-12H2,1H3,(H,18,19)
InChIKeyPSLLSVWUSYOYBE-UHFFFAOYSA-N
XLogP2.54
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82249387
4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82251166
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride
CID 54601103
N-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 82252971
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
2-(dimethylamino)-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide
CID 82245947
4-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 46680409
N-[4-(1H-imidazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 84512772
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 82252428
4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide
CID 132523995

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide (CID 82240327) is 4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C3=NCCCN3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is PSLLSVWUSYOYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13-3-9-16(10-4-13)23(21,22)20-15-7-5-14(6-8-15)17-18-11-2-12-19-17/h3-10,20H,2,11-12H2,1H3,(H,18,19).
What are the key properties of 4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide?
4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 82240327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).