4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide

C12H19Cl2N3O2S2 — CID 6737046

IUPAC4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
SMILESCN1CCN(CCCNS(=O)(=O)c2cc(Cl)c(Cl)s2)CC1
InChIInChI=1S/C12H19Cl2N3O2S2/c1-16-5-7-17(8-6-16)4-2-3-15-21(18,19)11-9-10(13)12(14)20-11/h9,15H,2-8H2,1H3
InChIKeyKBSQZNBFNSIFHY-UHFFFAOYSA-N
MW372.34 g/mol
LogP1.97
Rot. Bonds6

About 4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide

4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 6737046) has the molecular formula C12H19Cl2N3O2S2 and a molecular weight of 372.34 g/mol. Its IUPAC name is 4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID6737046
Molecular FormulaC12H19Cl2N3O2S2
Molecular Weight372.34 g/mol
Exact Mass371.03
IUPAC Name4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
SMILESCN1CCN(CCCNS(=O)(=O)c2cc(Cl)c(Cl)s2)CC1
InChIInChI=1S/C12H19Cl2N3O2S2/c1-16-5-7-17(8-6-16)4-2-3-15-21(18,19)11-9-10(13)12(14)20-11/h9,15H,2-8H2,1H3
InChIKeyKBSQZNBFNSIFHY-UHFFFAOYSA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chlorothiophen-2-yl)sulfonyl-N-ethylpiperazine-1-carbothioamide
CID 4968197
1-[(5-Chloro-2-thienyl)sulfonyl]-4-methylpiperazine
CID 778335
1-[(5-Chlorothien-2-yl)sulfonyl]piperazine
CID 3863656
[(5-Chloro(2-thienyl))sulfonyl](4-methylpiperazinyl)amine
CID 1236547
5-chloro-N-[3-(dimethylamino)propyl]thiophene-2-sulfonamide
CID 2099187
5-chloro-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 16196731
1-[(5-Chlorothiophen-2-yl)sulfonyl]piperazine hydrochloride
CID 53444390
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide
CID 2104271
1-Butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 6464993
3-[4-(5-Chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 9304441
2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide
CID 2805382
5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide
CID 4082154

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide (CID 6737046) is 4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide is CN1CCN(CCCNS(=O)(=O)c2cc(Cl)c(Cl)s2)CC1.
What is the InChIKey of 4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is KBSQZNBFNSIFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3O2S2/c1-16-5-7-17(8-6-16)4-2-3-15-21(18,19)11-9-10(13)12(14)20-11/h9,15H,2-8H2,1H3.
What are the key properties of 4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 372.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 6737046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).