2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide

C13H17Cl3N2O2S — CID 63300848

IUPAC2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl3N2O2S/c1-2-5-18(10-3-4-17-8-10)21(19,20)13-11(15)6-9(14)7-12(13)16/h6-7,10,17H,2-5,8H2,1H3
InChIKeyVDGVRUBCFYEAAP-UHFFFAOYSA-N
MW371.72 g/mol
LogP3.41
Rot. Bonds5

About 2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide

2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63300848) has the molecular formula C13H17Cl3N2O2S and a molecular weight of 371.72 g/mol. Its IUPAC name is 2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63300848
Molecular FormulaC13H17Cl3N2O2S
Molecular Weight371.72 g/mol
Exact Mass370.01
IUPAC Name2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl3N2O2S/c1-2-5-18(10-3-4-17-8-10)21(19,20)13-11(15)6-9(14)7-12(13)16/h6-7,10,17H,2-5,8H2,1H3
InChIKeyVDGVRUBCFYEAAP-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976554
2-bromo-3-chloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709411
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
CID 119976410
2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60806599
N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 66215475
2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 120712673
N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 63637983
2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642660
5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976636
2,4-dibromo-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301061

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63300848) is 2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide is CCCN(C1CCNC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is VDGVRUBCFYEAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl3N2O2S/c1-2-5-18(10-3-4-17-8-10)21(19,20)13-11(15)6-9(14)7-12(13)16/h6-7,10,17H,2-5,8H2,1H3.
What are the key properties of 2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 371.72 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63300848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).