5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide

C10H13BrClNO3S2 — CID 80579987

IUPAC5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H13BrClNO3S2/c1-13(6-7-3-2-4-16-7)18(14,15)9-5-8(12)10(11)17-9/h5,7H,2-4,6H2,1H3
InChIKeyHHHORTBVLIKGIQ-UHFFFAOYSA-N
MW374.71 g/mol
LogP2.96
Rot. Bonds4

About 5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 80579987) has the molecular formula C10H13BrClNO3S2 and a molecular weight of 374.71 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID80579987
Molecular FormulaC10H13BrClNO3S2
Molecular Weight374.71 g/mol
Exact Mass372.92
IUPAC Name5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H13BrClNO3S2/c1-13(6-7-3-2-4-16-7)18(14,15)9-5-8(12)10(11)17-9/h5,7H,2-4,6H2,1H3
InChIKeyHHHORTBVLIKGIQ-UHFFFAOYSA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 61060142
5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80579973
4-bromo-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 107650249
4-bromo-5-chloro-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]thiophene-2-sulfonamide
CID 59162073
3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 54952444
N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733201
3-amino-5-bromo-N,2-dimethyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 114379300
5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63329006
5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
CID 80730050
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 61435899
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
3-bromo-2-chloro-N-methyl-5-nitro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 119040582

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide (CID 80579987) is 5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide is CN(CC1CCCO1)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is HHHORTBVLIKGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3S2/c1-13(6-7-3-2-4-16-7)18(14,15)9-5-8(12)10(11)17-9/h5,7H,2-4,6H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 374.71 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80579987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).