2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide

C18H20ClN3O4S — CID 4790784

IUPAC2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-26-15-5-3-14(4-6-15)21-8-10-22(11-9-21)18(23)13-2-7-16(19)17(12-13)27(20,24)25/h2-7,12H,8-11H2,1H3,(H2,20,24,25)
InChIKeyLHAZRYBIUMXZBA-UHFFFAOYSA-N
MW409.90 g/mol
LogP1.96
Rot. Bonds4

About 2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide

2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 4790784) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID4790784
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-26-15-5-3-14(4-6-15)21-8-10-22(11-9-21)18(23)13-2-7-16(19)17(12-13)27(20,24)25/h2-7,12H,8-11H2,1H3,(H2,20,24,25)
InChIKeyLHAZRYBIUMXZBA-UHFFFAOYSA-N
XLogP1.96
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9081742
2-chloro-N-(2,3-dimethylphenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 5178494
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone
CID 25093752
(4-chloro-3-methylsulfonylphenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777646
(3,6-dichloro-2-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51148520
N-(3,4-dimethylphenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 126415422
2-methoxy-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 55917751
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2441786
[3-amino-4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 100634630
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone chloride
CID 53350574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide (CID 4790784) is 2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide is COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)cc1.
What is the InChIKey of 2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is LHAZRYBIUMXZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-26-15-5-3-14(4-6-15)21-8-10-22(11-9-21)18(23)13-2-7-16(19)17(12-13)27(20,24)25/h2-7,12H,8-11H2,1H3,(H2,20,24,25).
What are the key properties of 2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 409.90 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 4790784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).