5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide

C9H11BrClNO2S2 — CID 115967789

IUPAC5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H11BrClNO2S2/c1-6(2)5-12(3)16(13,14)8-4-7(11)9(10)15-8/h4H,1,5H2,2-3H3
InChIKeyPHYGQYZDHIAKIA-UHFFFAOYSA-N
MW344.68 g/mol
LogP3.36
Rot. Bonds4

About 5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide (PubChem CID 115967789) has the molecular formula C9H11BrClNO2S2 and a molecular weight of 344.68 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
PubChem CID115967789
Molecular FormulaC9H11BrClNO2S2
Molecular Weight344.68 g/mol
Exact Mass342.91
IUPAC Name5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H11BrClNO2S2/c1-6(2)5-12(3)16(13,14)8-4-7(11)9(10)15-8/h4H,1,5H2,2-3H3
InChIKeyPHYGQYZDHIAKIA-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 80130621
5-bromo-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80130884
5-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80131349
5-bromo-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80131417
5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80578621
5-bromo-N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80580075
5-bromo-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80580118
5-bromo-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80580144
5-bromo-N-(2-bromoethyl)-4-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 113966110
5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide
CID 115685426
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 115770420
5-bromo-N-methyl-N-propylthiophene-2-sulfonamide
CID 58169467

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide (CID 115967789) is 5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide is C=C(C)CN(C)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide?
The InChIKey is PHYGQYZDHIAKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S2/c1-6(2)5-12(3)16(13,14)8-4-7(11)9(10)15-8/h4H,1,5H2,2-3H3.
What are the key properties of 5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide has a molecular weight of 344.68 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide is sourced from PubChem (CID 115967789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).