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

C11H15BrClNO3S2 — CID 80579973

IUPAC5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H15BrClNO3S2/c1-14(7-8-2-4-17-5-3-8)19(15,16)10-6-9(13)11(12)18-10/h6,8H,2-5,7H2,1H3
InChIKeyALANHDIDLIZWSE-UHFFFAOYSA-N
MW388.74 g/mol
LogP3.21
Rot. Bonds4

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

5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide (PubChem CID 80579973) has the molecular formula C11H15BrClNO3S2 and a molecular weight of 388.74 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
PubChem CID80579973
Molecular FormulaC11H15BrClNO3S2
Molecular Weight388.74 g/mol
Exact Mass386.94
IUPAC Name5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H15BrClNO3S2/c1-14(7-8-2-4-17-5-3-8)19(15,16)10-6-9(13)11(12)18-10/h6,8H,2-5,7H2,1H3
InChIKeyALANHDIDLIZWSE-UHFFFAOYSA-N
XLogP3.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.74
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80579987
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 91905220
5-amino-2-chloro-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63727471
2-amino-5-bromo-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725917
2-bromo-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63707428
5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 115967789
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-methylamino]propanoic acid
CID 80577302
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
CID 62067638
2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726437
5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
CID 80578771
5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
CID 63706424

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide (CID 80579973) is 5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide is CN(CC1CCOCC1)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is ALANHDIDLIZWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO3S2/c1-14(7-8-2-4-17-5-3-8)19(15,16)10-6-9(13)11(12)18-10/h6,8H,2-5,7H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 388.74 g/mol, XLogP of 3.21, 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-(oxan-4-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80579973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).