3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C23H28N2O4S — CID 100504003

IUPAC3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1cc2c(cc1S(=O)(=O)Nc1ccc(C(=O)N3CCCCC3)cc1)CCCC2
InChIInChI=1S/C23H28N2O4S/c1-29-21-15-18-7-3-4-8-19(18)16-22(21)30(27,28)24-20-11-9-17(10-12-20)23(26)25-13-5-2-6-14-25/h9-12,15-16,24H,2-8,13-14H2,1H3
InChIKeyFKZHTFFZEZBUEA-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.00
Rot. Bonds5

About 3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 100504003) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID100504003
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1cc2c(cc1S(=O)(=O)Nc1ccc(C(=O)N3CCCCC3)cc1)CCCC2
InChIInChI=1S/C23H28N2O4S/c1-29-21-15-18-7-3-4-8-19(18)16-22(21)30(27,28)24-20-11-9-17(10-12-20)23(26)25-13-5-2-6-14-25/h9-12,15-16,24H,2-8,13-14H2,1H3
InChIKeyFKZHTFFZEZBUEA-UHFFFAOYSA-N
XLogP4.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 134025737
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100745693
N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984646
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059198
2-methoxy-5-(4-methylidenepiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 56570710
3-chloro-4-methoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 99967101
N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 29262539
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
N-[4-(piperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 2995976
N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
CID 22203693

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of 3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 100504003) is 3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for 3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for 3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is COc1cc2c(cc1S(=O)(=O)Nc1ccc(C(=O)N3CCCCC3)cc1)CCCC2.
What is the InChIKey of 3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is FKZHTFFZEZBUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-29-21-15-18-7-3-4-8-19(18)16-22(21)30(27,28)24-20-11-9-17(10-12-20)23(26)25-13-5-2-6-14-25/h9-12,15-16,24H,2-8,13-14H2,1H3.
What are the key properties of 3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 428.55 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 100504003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).