4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide

C18H18ClN3O4S — CID 155937511

IUPAC4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H18ClN3O4S/c19-16-4-2-1-3-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-7-14(8-6-13)27(20,25)26/h1-8H,9-12H2,(H2,20,25,26)
InChIKeyZWAGEDFCAJXKDS-UHFFFAOYSA-N
MW407.88 g/mol
LogP1.59
Rot. Bonds3

About 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide

4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 155937511) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID155937511
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC Name4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H18ClN3O4S/c19-16-4-2-1-3-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-7-14(8-6-13)27(20,25)26/h1-8H,9-12H2,(H2,20,25,26)
InChIKeyZWAGEDFCAJXKDS-UHFFFAOYSA-N
XLogP1.59
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Isomerase, glucose
CID 1151718
4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide
CID 135393499
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
CID 135393501
1-(4-Methylbenzoyl)-4-(phenylsulfonyl)piperazine
CID 707395
4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134158397
4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134817795
4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145952794
4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145959374
4-[4-(Phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 146048142
4-[4-(3-Fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 36275608
4-(4-Benzylpiperidine-1-carbonyl)benzenesulfonamide
CID 155569076
3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 984480

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide (CID 155937511) is 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is ZWAGEDFCAJXKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c19-16-4-2-1-3-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-7-14(8-6-13)27(20,25)26/h1-8H,9-12H2,(H2,20,25,26).
What are the key properties of 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide?
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 407.88 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 155937511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).