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

C18H29N3O5S2 — CID 43073485

IUPACN,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCCC2CNS(C)(=O)=O)cc1
InChIInChI=1S/C18H29N3O5S2/c1-4-20(5-2)28(25,26)17-11-9-15(10-12-17)18(22)21-13-7-6-8-16(21)14-19-27(3,23)24/h9-12,16,19H,4-8,13-14H2,1-3H3
InChIKeyISBFNQPVKUOROA-UHFFFAOYSA-N
MW431.58 g/mol
LogP1.26
Rot. Bonds8

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

N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 43073485) has the molecular formula C18H29N3O5S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID43073485
Molecular FormulaC18H29N3O5S2
Molecular Weight431.58 g/mol
Exact Mass431.15
IUPAC NameN,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCCC2CNS(C)(=O)=O)cc1
InChIInChI=1S/C18H29N3O5S2/c1-4-20(5-2)28(25,26)17-11-9-15(10-12-17)18(22)21-13-7-6-8-16(21)14-19-27(3,23)24/h9-12,16,19H,4-8,13-14H2,1-3H3
InChIKeyISBFNQPVKUOROA-UHFFFAOYSA-N
XLogP1.26
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073522
2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073520
N-[[1-[4-(aminomethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119288822
[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea
CID 43073423
N-[[1-[4-(piperidin-1-ylmethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43062811
N-[[1-[4-(1,3-dithian-2-yl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073333
N-[[1-[4-(trifluoromethylsulfanyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073371
1-[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 47029987
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119631027
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722457
(4-ethylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651635

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide (CID 43073485) is N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCCC2CNS(C)(=O)=O)cc1.
What is the InChIKey of N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is ISBFNQPVKUOROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5S2/c1-4-20(5-2)28(25,26)17-11-9-15(10-12-17)18(22)21-13-7-6-8-16(21)14-19-27(3,23)24/h9-12,16,19H,4-8,13-14H2,1-3H3.
What are the key properties of N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide?
N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 431.58 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 43073485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).