N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide

C22H23ClN2O3S — CID 46483857

IUPACN-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=C(c1ccc(Cl)cc1NS(=O)(=O)C1=Cc2ccccc2CC1)N1CCCCC1
InChIInChI=1S/C22H23ClN2O3S/c23-18-9-11-20(22(26)25-12-4-1-5-13-25)21(15-18)24-29(27,28)19-10-8-16-6-2-3-7-17(16)14-19/h2-3,6-7,9,11,14-15,24H,1,4-5,8,10,12-13H2
InChIKeyUKWNPUXTYLBALK-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.70
Rot. Bonds4

About N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide

N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 46483857) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID46483857
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC NameN-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=C(c1ccc(Cl)cc1NS(=O)(=O)C1=Cc2ccccc2CC1)N1CCCCC1
InChIInChI=1S/C22H23ClN2O3S/c23-18-9-11-20(22(26)25-12-4-1-5-13-25)21(15-18)24-29(27,28)19-10-8-16-6-2-3-7-17(16)14-19/h2-3,6-7,9,11,14-15,24H,1,4-5,8,10,12-13H2
InChIKeyUKWNPUXTYLBALK-UHFFFAOYSA-N
XLogP4.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55767362
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 24663378
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 60534480
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169371025
3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone
CID 102580684
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfonylbenzenesulfonamide
CID 55896274
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide
CID 49191872
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
[4-chloro-2-(5-hydroxypentylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 111770354

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide (CID 46483857) is N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide is O=C(c1ccc(Cl)cc1NS(=O)(=O)C1=Cc2ccccc2CC1)N1CCCCC1.
What is the InChIKey of N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is UKWNPUXTYLBALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c23-18-9-11-20(22(26)25-12-4-1-5-13-25)21(15-18)24-29(27,28)19-10-8-16-6-2-3-7-17(16)14-19/h2-3,6-7,9,11,14-15,24H,1,4-5,8,10,12-13H2.
What are the key properties of N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide?
N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 430.96 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 46483857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).