5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide

C9H13BrClNO2S2 — CID 79987976

IUPAC5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC(C)Cl)sc1Br
InChIInChI=1S/C9H13BrClNO2S2/c1-6-4-8(15-9(6)10)16(13,14)12(3)5-7(2)11/h4,7H,5H2,1-3H3
InChIKeyBGTAVLDRVPJRQK-UHFFFAOYSA-N
MW346.70 g/mol
LogP3.07
Rot. Bonds4

About 5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide

5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide (PubChem CID 79987976) has the molecular formula C9H13BrClNO2S2 and a molecular weight of 346.70 g/mol. Its IUPAC name is 5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide
PubChem CID79987976
Molecular FormulaC9H13BrClNO2S2
Molecular Weight346.70 g/mol
Exact Mass344.93
IUPAC Name5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC(C)Cl)sc1Br
InChIInChI=1S/C9H13BrClNO2S2/c1-6-4-8(15-9(6)10)16(13,14)12(3)5-7(2)11/h4,7H,5H2,1-3H3
InChIKeyBGTAVLDRVPJRQK-UHFFFAOYSA-N
XLogP3.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide (CID 79987976) is 5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)CC(C)Cl)sc1Br.
What is the InChIKey of 5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide?
The InChIKey is BGTAVLDRVPJRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrClNO2S2/c1-6-4-8(15-9(6)10)16(13,14)12(3)5-7(2)11/h4,7H,5H2,1-3H3.
What are the key properties of 5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide?
5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide has a molecular weight of 346.70 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 79987976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).