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

C18H28ClN3O5S2 — CID 43073520

IUPAC2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCCC2CNS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C18H28ClN3O5S2/c1-4-21(5-2)29(26,27)17-12-14(9-10-16(17)19)18(23)22-11-7-6-8-15(22)13-20-28(3,24)25/h9-10,12,15,20H,4-8,11,13H2,1-3H3
InChIKeyIQPLOSKWGLDJIW-UHFFFAOYSA-N
MW466.03 g/mol
LogP1.91
Rot. Bonds8

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

2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 43073520) has the molecular formula C18H28ClN3O5S2 and a molecular weight of 466.03 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID43073520
Molecular FormulaC18H28ClN3O5S2
Molecular Weight466.03 g/mol
Exact Mass465.12
IUPAC Name2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCCC2CNS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C18H28ClN3O5S2/c1-4-21(5-2)29(26,27)17-12-14(9-10-16(17)19)18(23)22-11-7-6-8-15(22)13-20-28(3,24)25/h9-10,12,15,20H,4-8,11,13H2,1-3H3
InChIKeyIQPLOSKWGLDJIW-UHFFFAOYSA-N
XLogP1.91
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.03
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073485
N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073522
5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2-chloro-N,N-diethylbenzenesulfonamide
CID 9295967
2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 32651732
2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55340217
N-[[1-[4-(piperidin-1-ylmethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43062811
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722457
(3-chloro-4-iodophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 103209404
N-[[1-[4-(aminomethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119288822
3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 43073290
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide (CID 43073520) is 2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCCC2CNS(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is IQPLOSKWGLDJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O5S2/c1-4-21(5-2)29(26,27)17-12-14(9-10-16(17)19)18(23)22-11-7-6-8-15(22)13-20-28(3,24)25/h9-10,12,15,20H,4-8,11,13H2,1-3H3.
What are the key properties of 2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide?
2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 466.03 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 43073520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).