3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide

C14H20Cl2N2O2S — CID 63637983

IUPAC3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCCNC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2S/c1-2-8-18(11-4-3-7-17-10-11)21(19,20)12-5-6-13(15)14(16)9-12/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyZRVCCQBORACVFD-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.15
Rot. Bonds5

About 3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide

3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide (PubChem CID 63637983) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
PubChem CID63637983
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCCNC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2S/c1-2-8-18(11-4-3-7-17-10-11)21(19,20)12-5-6-13(15)14(16)9-12/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyZRVCCQBORACVFD-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976554
N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 60807373
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
CID 119976410
N-piperidin-3-yl-N-propylethanesulfonamide
CID 60806396
2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300848
2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide
CID 119976743
N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 66215475
1-ethyl-N-piperidin-3-yl-N-propylimidazole-4-sulfonamide
CID 79373627
2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119976551
3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993709
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide (CID 63637983) is 3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide is CCCN(C1CCCNC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide?
The InChIKey is ZRVCCQBORACVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-2-8-18(11-4-3-7-17-10-11)21(19,20)12-5-6-13(15)14(16)9-12/h5-6,9,11,17H,2-4,7-8,10H2,1H3.
What are the key properties of 3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide?
3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 63637983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).