N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

C22H21ClN4O3S — CID 55821169

IUPACN-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C22H21ClN4O3S/c23-20-10-5-11-24-21(20)26-12-14-27(15-13-26)22(28)17-6-4-7-18(16-17)25-31(29,30)19-8-2-1-3-9-19/h1-11,16,25H,12-15H2
InChIKeyBCZMEPOQXMTNPP-UHFFFAOYSA-N
MW456.96 g/mol
LogP3.50
Rot. Bonds5

About N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 55821169) has the molecular formula C22H21ClN4O3S and a molecular weight of 456.96 g/mol. Its IUPAC name is N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID55821169
Molecular FormulaC22H21ClN4O3S
Molecular Weight456.96 g/mol
Exact Mass456.10
IUPAC NameN-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C22H21ClN4O3S/c23-20-10-5-11-24-21(20)26-12-14-27(15-13-26)22(28)17-6-4-7-18(16-17)25-31(29,30)19-8-2-1-3-9-19/h1-11,16,25H,12-15H2
InChIKeyBCZMEPOQXMTNPP-UHFFFAOYSA-N
XLogP3.50
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.96
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55821678
N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55455438
3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55821932
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 5295909
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-(4-chlorophenyl)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26693557
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 4806668
3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2546755
N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 158352401
N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55349862

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (CID 55821169) is N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is BCZMEPOQXMTNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3S/c23-20-10-5-11-24-21(20)26-12-14-27(15-13-26)22(28)17-6-4-7-18(16-17)25-31(29,30)19-8-2-1-3-9-19/h1-11,16,25H,12-15H2.
What are the key properties of N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 456.96 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 55821169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).