2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide

C22H32ClN3O4S — CID 55340217

IUPAC2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)ccc1Cl
InChIInChI=1S/C22H32ClN3O4S/c1-3-26(4-2)31(29,30)20-16-18(8-9-19(20)23)22(28)25-14-10-17(11-15-25)21(27)24-12-6-5-7-13-24/h8-9,16-17H,3-7,10-15H2,1-2H3
InChIKeyXNSQXCACZGJWNK-UHFFFAOYSA-N
MW470.04 g/mol
LogP3.24
Rot. Bonds6

About 2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide

2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 55340217) has the molecular formula C22H32ClN3O4S and a molecular weight of 470.04 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID55340217
Molecular FormulaC22H32ClN3O4S
Molecular Weight470.04 g/mol
Exact Mass469.18
IUPAC Name2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)ccc1Cl
InChIInChI=1S/C22H32ClN3O4S/c1-3-26(4-2)31(29,30)20-16-18(8-9-19(20)23)22(28)25-14-10-17(11-15-25)21(27)24-12-6-5-7-13-24/h8-9,16-17H,3-7,10-15H2,1-2H3
InChIKeyXNSQXCACZGJWNK-UHFFFAOYSA-N
XLogP3.24
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.04
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide with MolForge

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Related Compounds

2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 32651732
[1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469270
5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2-chloro-N,N-diethylbenzenesulfonamide
CID 9295967
5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide
CID 26500757
2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073520
2-chloro-N,N-diethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4683687
2-chloro-N,N-diethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55923154
N,N-diethyl-4-methyl-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55340112
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 2460524
ethyl 1-[4-chloro-3-(dimethylsulfamoyl)benzoyl]piperidine-3-carboxylate
CID 46418772
N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide (CID 55340217) is 2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is XNSQXCACZGJWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O4S/c1-3-26(4-2)31(29,30)20-16-18(8-9-19(20)23)22(28)25-14-10-17(11-15-25)21(27)24-12-6-5-7-13-24/h8-9,16-17H,3-7,10-15H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 470.04 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55340217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).