2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide

C14H20Cl2N2O2S — CID 60806599

IUPAC2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-2-10-18(11-6-8-17-9-7-11)21(19,20)13-5-3-4-12(15)14(13)16/h3-5,11,17H,2,6-10H2,1H3
InChIKeyQWHCOULFMFXKNH-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.15
Rot. Bonds5

About 2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide

2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide (PubChem CID 60806599) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
PubChem CID60806599
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-2-10-18(11-6-8-17-9-7-11)21(19,20)13-5-3-4-12(15)14(13)16/h3-5,11,17H,2,6-10H2,1H3
InChIKeyQWHCOULFMFXKNH-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

2-bromo-3-chloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709411
2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 120712673
3-bromo-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994194
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123
2,3-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577659
2-methyl-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993938
methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate
CID 119993890
N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride
CID 119993724
2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300848
N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119994071
5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994172
methyl 3-chloro-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate;hydrochloride
CID 119993955

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide (CID 60806599) is 2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The InChIKey is QWHCOULFMFXKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-2-10-18(11-6-8-17-9-7-11)21(19,20)13-5-3-4-12(15)14(13)16/h3-5,11,17H,2,6-10H2,1H3.
What are the key properties of 2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
2,3-dichloro-N-piperidin-4-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 2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 60806599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).