5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide

C16H18ClN3O4S — CID 38701176

IUPAC5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C16H18ClN3O4S/c1-18-25(22,23)15-6-5-14(24-15)16(21)20-9-7-19(8-10-20)13-4-2-3-12(17)11-13/h2-6,11,18H,7-10H2,1H3
InChIKeyZYUNGWRGTDURLZ-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.80
Rot. Bonds4

About 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide

5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide (PubChem CID 38701176) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
PubChem CID38701176
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C16H18ClN3O4S/c1-18-25(22,23)15-6-5-14(24-15)16(21)20-9-7-19(8-10-20)13-4-2-3-12(17)11-13/h2-6,11,18H,7-10H2,1H3
InChIKeyZYUNGWRGTDURLZ-UHFFFAOYSA-N
XLogP1.80
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-5-(4-oxopiperidine-1-carbonyl)furan-2-sulfonamide
CID 112531251
N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide
CID 55647946
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 39896620
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one
CID 1221111
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-nitrophenyl)furan-2-yl]methanone
CID 9146078
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylfuran-2-sulfonamide
CID 39878222
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
N-methyl-5-[(2R)-2-methylmorpholine-4-carbonyl]furan-2-sulfonamide
CID 94023334
[4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 43461710
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide (CID 38701176) is 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide is CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The InChIKey is ZYUNGWRGTDURLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c1-18-25(22,23)15-6-5-14(24-15)16(21)20-9-7-19(8-10-20)13-4-2-3-12(17)11-13/h2-6,11,18H,7-10H2,1H3.
What are the key properties of 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide?
5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide has a molecular weight of 383.86 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 38701176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).