4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide

C7H16ClN3O4S2 — CID 61248403

IUPAC4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(S(=O)(=O)CCCCl)CC1
InChIInChI=1S/C7H16ClN3O4S2/c8-2-1-7-16(12,13)10-3-5-11(6-4-10)17(9,14)15/h1-7H2,(H2,9,14,15)
InChIKeyOQVFKPVKJSTKMP-UHFFFAOYSA-N
MW305.81 g/mol
LogP-1.23
Rot. Bonds5

About 4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide

4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide (PubChem CID 61248403) has the molecular formula C7H16ClN3O4S2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide
PubChem CID61248403
Molecular FormulaC7H16ClN3O4S2
Molecular Weight305.81 g/mol
Exact Mass305.03
IUPAC Name4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(S(=O)(=O)CCCCl)CC1
InChIInChI=1S/C7H16ClN3O4S2/c8-2-1-7-16(12,13)10-3-5-11(6-4-10)17(9,14)15/h1-7H2,(H2,9,14,15)
InChIKeyOQVFKPVKJSTKMP-UHFFFAOYSA-N
XLogP-1.23
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide
CID 63242667
8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 103638881
methyl 4-(4-sulfamoylpiperazin-1-yl)sulfonylbutanoate
CID 61457490
1-(4-chlorobutylsulfonyl)-4-methylpiperidine
CID 28704646
3-(3-chloropropylsulfonyl)-7,8,16,17-tetraoxa-3-azadispiro[5.2.69.26]heptadecane
CID 171356739
methyl 3-[4-(3-chloropropylsulfonyl)piperazin-1-yl]propanoate
CID 115536332
1-(3-chloropropylsulfonyl)-4-(4-methoxyphenyl)piperazine
CID 43654044
[1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol
CID 107858946
1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine
CID 63174919
1-(4-chlorobutylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 116815226
2-(3-chloropropylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 28704624
1-butylsulfonyl-4-(2-chloroethyl)-1,4-diazepane
CID 63397592

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide (CID 61248403) is 4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(S(=O)(=O)CCCCl)CC1.
What is the InChIKey of 4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide?
The InChIKey is OQVFKPVKJSTKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClN3O4S2/c8-2-1-7-16(12,13)10-3-5-11(6-4-10)17(9,14)15/h1-7H2,(H2,9,14,15).
What are the key properties of 4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide?
4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide has a molecular weight of 305.81 g/mol, XLogP of -1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61248403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).