N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide

C17H18ClN3O2S — CID 102506802

IUPACN-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1=NCCCN1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2S/c18-15-7-9-16(10-8-15)24(22,23)20-17-19-11-4-12-21(17)13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H,19,20)
InChIKeyZRJVNEGGDOLKMK-UHFFFAOYSA-N
MW363.87 g/mol
LogP2.88
Rot. Bonds4

About N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide

N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide (PubChem CID 102506802) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide
PubChem CID102506802
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC NameN-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1=NCCCN1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2S/c18-15-7-9-16(10-8-15)24(22,23)20-17-19-11-4-12-21(17)13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H,19,20)
InChIKeyZRJVNEGGDOLKMK-UHFFFAOYSA-N
XLogP2.88
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
CID 19581941
N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide
CID 12056537
N-[1-[(6-chloro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]methanesulfonamide
CID 12056540
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
N-[(1-benzylpiperidin-4-ylidene)amino]-4-chlorobenzenesulfonamide
CID 3438181
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771811
N-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 38021271
N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide
CID 138974549
4-chloro-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347324
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
N-[3-[3-(4-benzylpiperazin-1-yl)-2-oxopropyl]phenyl]-4-chlorobenzenesulfonamide;dihydrochloride
CID 67759878
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201811

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide (CID 102506802) is N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide is O=S(=O)(NC1=NCCCN1Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide?
The InChIKey is ZRJVNEGGDOLKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c18-15-7-9-16(10-8-15)24(22,23)20-17-19-11-4-12-21(17)13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H,19,20).
What are the key properties of N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide?
N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide has a molecular weight of 363.87 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 102506802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).