3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide

C16H24Cl2N2O3S — CID 110403316

IUPAC3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
SMILESCC(C)CC(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H24Cl2N2O3S/c1-12(2)9-13(20-5-7-23-8-6-20)11-19-24(21,22)14-3-4-15(17)16(18)10-14/h3-4,10,12-13,19H,5-9,11H2,1-2H3
InChIKeyFNCSLXPOKLHZQF-UHFFFAOYSA-N
MW395.35 g/mol
LogP3.02
Rot. Bonds7

About 3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide

3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide (PubChem CID 110403316) has the molecular formula C16H24Cl2N2O3S and a molecular weight of 395.35 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
PubChem CID110403316
Molecular FormulaC16H24Cl2N2O3S
Molecular Weight395.35 g/mol
Exact Mass394.09
IUPAC Name3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
SMILESCC(C)CC(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H24Cl2N2O3S/c1-12(2)9-13(20-5-7-23-8-6-20)11-19-24(21,22)14-3-4-15(17)16(18)10-14/h3-4,10,12-13,19H,5-9,11H2,1-2H3
InChIKeyFNCSLXPOKLHZQF-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 46540574
N-[4-[(4-methyl-2-morpholin-4-ylpentyl)sulfamoyl]phenyl]acetamide
CID 110403337
4-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403691
4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43074811
3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403737
N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
CID 110403541
3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide
CID 46582731
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506418
4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
CID 110403598
N-(4-methyl-2-piperidin-1-ylpentyl)-3-nitrobenzenesulfonamide
CID 110403448
N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-1-sulfonamide
CID 134017896

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide (CID 110403316) is 3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide is CC(C)CC(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The InChIKey is FNCSLXPOKLHZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O3S/c1-12(2)9-13(20-5-7-23-8-6-20)11-19-24(21,22)14-3-4-15(17)16(18)10-14/h3-4,10,12-13,19H,5-9,11H2,1-2H3.
What are the key properties of 3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide has a molecular weight of 395.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide is sourced from PubChem (CID 110403316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).