N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide

C18H20ClN3O3S — CID 110369728

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide
SMILESCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-14(23)21-10-12-22(13-11-21)16-8-6-15(7-9-16)20-26(24,25)18-5-3-2-4-17(18)19/h2-9,20H,10-13H2,1H3
InChIKeyRSVKPLCMQOBUEY-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.81
Rot. Bonds4

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide (PubChem CID 110369728) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide
PubChem CID110369728
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide
SMILESCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-14(23)21-10-12-22(13-11-21)16-8-6-15(7-9-16)20-26(24,25)18-5-3-2-4-17(18)19/h2-9,20H,10-13H2,1H3
InChIKeyRSVKPLCMQOBUEY-UHFFFAOYSA-N
XLogP2.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-chlorobenzenesulfonamide
CID 110369727
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-chlorobenzenesulfonamide
CID 16943710
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965668
2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9338930
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
CID 42388549
2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 26680947
4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid
CID 155045949
8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide
CID 25037325
5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 2330006
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide
CID 16623903
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110615144

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide (CID 110369728) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide is CC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide?
The InChIKey is RSVKPLCMQOBUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-14(23)21-10-12-22(13-11-21)16-8-6-15(7-9-16)20-26(24,25)18-5-3-2-4-17(18)19/h2-9,20H,10-13H2,1H3.
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide has a molecular weight of 393.90 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 110369728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).