5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide

C9H13Br2NO2S2 — CID 106441810

IUPAC5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCCBr)sc1Br
InChIInChI=1S/C9H13Br2NO2S2/c1-7-6-8(15-9(7)11)16(13,14)12(2)5-3-4-10/h6H,3-5H2,1-2H3
InChIKeyIJGCUOPGCUKXAD-UHFFFAOYSA-N
MW391.15 g/mol
LogP3.22
Rot. Bonds5

About 5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide

5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide (PubChem CID 106441810) has the molecular formula C9H13Br2NO2S2 and a molecular weight of 391.15 g/mol. Its IUPAC name is 5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide
PubChem CID106441810
Molecular FormulaC9H13Br2NO2S2
Molecular Weight391.15 g/mol
Exact Mass388.88
IUPAC Name5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCCBr)sc1Br
InChIInChI=1S/C9H13Br2NO2S2/c1-7-6-8(15-9(7)11)16(13,14)12(2)5-3-4-10/h6H,3-5H2,1-2H3
InChIKeyIJGCUOPGCUKXAD-UHFFFAOYSA-N
XLogP3.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-4-methylthiophene-2-sulfonamide
CID 22019533
5-bromo-N,N-bis(2-methylpropyl)thiophene-2-sulfonamide
CID 1318158
5-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 61384542
5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 79924627
5-bromo-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 79925368
5-bromo-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 79930670
5-bromo-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 79931317
5-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 79934331
5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 79940880
5-bromo-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 79994651
5-bromo-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 79994851
5-bromo-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 79994961

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide (CID 106441810) is 5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)CCCBr)sc1Br.
What is the InChIKey of 5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide?
The InChIKey is IJGCUOPGCUKXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br2NO2S2/c1-7-6-8(15-9(7)11)16(13,14)12(2)5-3-4-10/h6H,3-5H2,1-2H3.
What are the key properties of 5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide?
5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide has a molecular weight of 391.15 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 106441810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).