3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide

C10H16BrNO2S2 — CID 61456147

IUPAC3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H16BrNO2S2/c1-4-8(3)12(5-2)16(13,14)10-9(11)6-7-15-10/h6-8H,4-5H2,1-3H3
InChIKeyZISYLIDRQRGEDV-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.32
Rot. Bonds5

About 3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide

3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide (PubChem CID 61456147) has the molecular formula C10H16BrNO2S2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide
PubChem CID61456147
Molecular FormulaC10H16BrNO2S2
Molecular Weight326.28 g/mol
Exact Mass324.98
IUPAC Name3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H16BrNO2S2/c1-4-8(3)12(5-2)16(13,14)10-9(11)6-7-15-10/h6-8H,4-5H2,1-3H3
InChIKeyZISYLIDRQRGEDV-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 61072692
3-bromo-N,N-dipropylthiophene-2-sulfonamide
CID 55136537
N-[(2-aminophenyl)methyl]-3-bromo-N-propan-2-ylthiophene-2-sulfonamide
CID 61457781
3-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]-2-methylpropanethioamide
CID 54987518
3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 61456259
3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide
CID 107400610
3-bromo-N-(2-chloroethyl)-N-methylthiophene-2-sulfonamide
CID 63396569
3-amino-4-bromo-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 113288288
3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
CID 61458158
2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61072800
ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate
CID 61069107
3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61062149

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide (CID 61456147) is 3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide is CCC(C)N(CC)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide?
The InChIKey is ZISYLIDRQRGEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2S2/c1-4-8(3)12(5-2)16(13,14)10-9(11)6-7-15-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide?
3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide has a molecular weight of 326.28 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 61456147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).