3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide

C18H19ClN4O3S — CID 18382093

IUPAC3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H19ClN4O3S/c19-15-4-6-16(7-5-15)27(25,26)23-10-8-22(9-11-23)18(24)14-3-1-2-13(12-14)17(20)21/h1-7,12H,8-11H2,(H3,20,21)
InChIKeyDQNXBWUYNGROEZ-UHFFFAOYSA-N
MW406.90 g/mol
LogP1.77
Rot. Bonds4

About 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide

3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide (PubChem CID 18382093) has the molecular formula C18H19ClN4O3S and a molecular weight of 406.90 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
PubChem CID18382093
Molecular FormulaC18H19ClN4O3S
Molecular Weight406.90 g/mol
Exact Mass406.09
IUPAC Name3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H19ClN4O3S/c19-15-4-6-16(7-5-15)27(25,26)23-10-8-22(9-11-23)18(24)14-3-1-2-13(12-14)17(20)21/h1-7,12H,8-11H2,(H3,20,21)
InChIKeyDQNXBWUYNGROEZ-UHFFFAOYSA-N
XLogP1.77
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

acetic acid;4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162311349
4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 15860387
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 7408927
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 26202322
acetic acid;3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162335740
N-[3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 17391677
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 9368920
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 34182939
3H-benzimidazol-5-yl-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26866142
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 9368898
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9496000
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-pyrrol-1-ylphenyl)methanone
CID 24594160

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
The IUPAC name of 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide (CID 18382093) is 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
The InChIKey is DQNXBWUYNGROEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S/c19-15-4-6-16(7-5-15)27(25,26)23-10-8-22(9-11-23)18(24)14-3-1-2-13(12-14)17(20)21/h1-7,12H,8-11H2,(H3,20,21).
What are the key properties of 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide has a molecular weight of 406.90 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide is sourced from PubChem (CID 18382093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).