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

C22H26N2O3S — CID 17492426

IUPACN-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCCCC1
InChIInChI=1S/C22H26N2O3S/c25-22(24-14-6-1-7-15-24)20-10-4-5-11-21(20)23-28(26,27)19-13-12-17-8-2-3-9-18(17)16-19/h4-5,10-13,16,23H,1-3,6-9,14-15H2
InChIKeyKKERDKIITSCZLB-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.99
Rot. Bonds4

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

N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 17492426) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID17492426
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCCCC1
InChIInChI=1S/C22H26N2O3S/c25-22(24-14-6-1-7-15-24)20-10-4-5-11-21(20)23-28(26,27)19-13-12-17-8-2-3-9-18(17)16-19/h4-5,10-13,16,23H,1-3,6-9,14-15H2
InChIKeyKKERDKIITSCZLB-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 38009918
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
CID 100525119
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28633685
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 8707607
N-[2-(azetidine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 24658991
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 92672793
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide
CID 47092045

Frequently Asked Questions

What is the IUPAC name of N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 17492426) is N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCCCC1.
What is the InChIKey of N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is KKERDKIITSCZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-22(24-14-6-1-7-15-24)20-10-4-5-11-21(20)23-28(26,27)19-13-12-17-8-2-3-9-18(17)16-19/h4-5,10-13,16,23H,1-3,6-9,14-15H2.
What are the key properties of N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 398.53 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 17492426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).