N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide

C13H20ClN3O2S — CID 61253121

IUPACN-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide
SMILESCC(Cc1cccc(Cl)c1)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H20ClN3O2S/c1-11(9-12-3-2-4-13(14)10-12)16-20(18,19)17-7-5-15-6-8-17/h2-4,10-11,15-16H,5-9H2,1H3
InChIKeyPDHBAKQEEKZHCG-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.01
Rot. Bonds5

About N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide

N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide (PubChem CID 61253121) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide
PubChem CID61253121
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide
SMILESCC(Cc1cccc(Cl)c1)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H20ClN3O2S/c1-11(9-12-3-2-4-13(14)10-12)16-20(18,19)17-7-5-15-6-8-17/h2-4,10-11,15-16H,5-9H2,1H3
InChIKeyPDHBAKQEEKZHCG-UHFFFAOYSA-N
XLogP1.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide (CID 61253121) is N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide is CC(Cc1cccc(Cl)c1)NS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide?
The InChIKey is PDHBAKQEEKZHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-11(9-12-3-2-4-13(14)10-12)16-20(18,19)17-7-5-15-6-8-17/h2-4,10-11,15-16H,5-9H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide?
N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide has a molecular weight of 317.84 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide is sourced from PubChem (CID 61253121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).