2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

C19H22ClN3O3S — CID 9338930

IUPAC2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22ClN3O3S/c20-17-8-4-5-9-18(17)27(25,26)21-11-10-19(24)23-14-12-22(13-15-23)16-6-2-1-3-7-16/h1-9,21H,10-15H2
InChIKeyUNXCNNPZGKMGNV-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.36
Rot. Bonds6

About 2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 9338930) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID9338930
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22ClN3O3S/c20-17-8-4-5-9-18(17)27(25,26)21-11-10-19(24)23-14-12-22(13-15-23)16-6-2-1-3-7-16/h1-9,21H,10-15H2
InChIKeyUNXCNNPZGKMGNV-UHFFFAOYSA-N
XLogP2.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 26680947
3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027122
2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267368
2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55846108
N-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-chlorobenzenesulfonamide
CID 55408215
3,4-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 3466822
4-nitro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 17192800
N-butan-2-yl-2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]acetamide
CID 55884585
ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate
CID 55636719
3,5-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 40710414
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 115671903
2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119403723

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide (CID 9338930) is 2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is UNXCNNPZGKMGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c20-17-8-4-5-9-18(17)27(25,26)21-11-10-19(24)23-14-12-22(13-15-23)16-6-2-1-3-7-16/h1-9,21H,10-15H2.
What are the key properties of 2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 407.92 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 9338930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).