N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide

C18H29N3O5S2 — CID 43073522

IUPACN,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCCC2CNS(C)(=O)=O)c1
InChIInChI=1S/C18H29N3O5S2/c1-4-20(5-2)28(25,26)17-11-8-9-15(13-17)18(22)21-12-7-6-10-16(21)14-19-27(3,23)24/h8-9,11,13,16,19H,4-7,10,12,14H2,1-3H3
InChIKeyPKYHXZRQBDMMOD-UHFFFAOYSA-N
MW431.58 g/mol
LogP1.26
Rot. Bonds8

About N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide

N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 43073522) has the molecular formula C18H29N3O5S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID43073522
Molecular FormulaC18H29N3O5S2
Molecular Weight431.58 g/mol
Exact Mass431.15
IUPAC NameN,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCCC2CNS(C)(=O)=O)c1
InChIInChI=1S/C18H29N3O5S2/c1-4-20(5-2)28(25,26)17-11-8-9-15(13-17)18(22)21-12-7-6-10-16(21)14-19-27(3,23)24/h8-9,11,13,16,19H,4-7,10,12,14H2,1-3H3
InChIKeyPKYHXZRQBDMMOD-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-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073485
3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 43073290
2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073520
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722457
N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073491
3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580317
N-[[1-[4-(aminomethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119288822
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 51160926
3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 18143310
N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 60559058
N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119396973

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide (CID 43073522) is N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCCC2CNS(C)(=O)=O)c1.
What is the InChIKey of N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is PKYHXZRQBDMMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5S2/c1-4-20(5-2)28(25,26)17-11-8-9-15(13-17)18(22)21-12-7-6-10-16(21)14-19-27(3,23)24/h8-9,11,13,16,19H,4-7,10,12,14H2,1-3H3.
What are the key properties of N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide?
N,N-diethyl-3-[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-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 43073522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).