4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide

C16H18N4O3S2 — CID 18382172

IUPAC4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H18N4O3S2/c17-15(18)12-3-5-13(6-4-12)16(21)19-7-9-20(10-8-19)25(22,23)14-2-1-11-24-14/h1-6,11H,7-10H2,(H3,17,18)
InChIKeyBTJBQQCWHLPMFY-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.18
Rot. Bonds4

About 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide

4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide (PubChem CID 18382172) has the molecular formula C16H18N4O3S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
PubChem CID18382172
Molecular FormulaC16H18N4O3S2
Molecular Weight378.48 g/mol
Exact Mass378.08
IUPAC Name4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H18N4O3S2/c17-15(18)12-3-5-13(6-4-12)16(21)19-7-9-20(10-8-19)25(22,23)14-2-1-11-24-14/h1-6,11H,7-10H2,(H3,17,18)
InChIKeyBTJBQQCWHLPMFY-UHFFFAOYSA-N
XLogP1.18
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 15860387
(4-methylphenyl)-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798322
N-[4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 42087714
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4785102
acetic acid;4-(4-methylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 162310862
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148460
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
acetic acid;4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162311349
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388

Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide?
The IUPAC name of 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide (CID 18382172) is 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide.
What is the SMILES notation for 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide?
The canonical SMILES for 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide?
The InChIKey is BTJBQQCWHLPMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S2/c17-15(18)12-3-5-13(6-4-12)16(21)19-7-9-20(10-8-19)25(22,23)14-2-1-11-24-14/h1-6,11H,7-10H2,(H3,17,18).
What are the key properties of 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide?
4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide has a molecular weight of 378.48 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide is sourced from PubChem (CID 18382172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).