5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide

C10H15BrClNO3S2 — CID 106158328

IUPAC5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide
SMILESCOCC(CCCl)NS(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C10H15BrClNO3S2/c1-7-9(5-10(11)17-7)18(14,15)13-8(3-4-12)6-16-2/h5,8,13H,3-4,6H2,1-2H3
InChIKeySTAFQNYBQLCZQD-UHFFFAOYSA-N
MW376.73 g/mol
LogP2.74
Rot. Bonds7

About 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide

5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide (PubChem CID 106158328) has the molecular formula C10H15BrClNO3S2 and a molecular weight of 376.73 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide
PubChem CID106158328
Molecular FormulaC10H15BrClNO3S2
Molecular Weight376.73 g/mol
Exact Mass374.94
IUPAC Name5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide
SMILESCOCC(CCCl)NS(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C10H15BrClNO3S2/c1-7-9(5-10(11)17-7)18(14,15)13-8(3-4-12)6-16-2/h5,8,13H,3-4,6H2,1-2H3
InChIKeySTAFQNYBQLCZQD-UHFFFAOYSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,6-dichloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
CID 106158302
5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide
CID 106158237
5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide
CID 106068581
4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
CID 114151632
2-bromo-N-(1-methoxypentan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068580
5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide
CID 115690382
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
CID 114616387
2,5-dibromo-N-(1-bromo-3-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 106185015
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide
CID 113318784
(2R)-2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906673
N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 106185346

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide (CID 106158328) is 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide is COCC(CCCl)NS(=O)(=O)c1cc(Br)sc1C.
What is the InChIKey of 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide?
The InChIKey is STAFQNYBQLCZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClNO3S2/c1-7-9(5-10(11)17-7)18(14,15)13-8(3-4-12)6-16-2/h5,8,13H,3-4,6H2,1-2H3.
What are the key properties of 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide?
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide has a molecular weight of 376.73 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106158328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).