3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide

C9H14BrNO3S2 — CID 61458158

IUPAC3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H14BrNO3S2/c1-2-4-11(5-6-12)16(13,14)9-8(10)3-7-15-9/h3,7,12H,2,4-6H2,1H3
InChIKeyIQLSGQBLVHFUQM-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.90
Rot. Bonds6

About 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide

3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide (PubChem CID 61458158) has the molecular formula C9H14BrNO3S2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
PubChem CID61458158
Molecular FormulaC9H14BrNO3S2
Molecular Weight328.25 g/mol
Exact Mass326.96
IUPAC Name3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H14BrNO3S2/c1-2-4-11(5-6-12)16(13,14)9-8(10)3-7-15-9/h3,7,12H,2,4-6H2,1H3
InChIKeyIQLSGQBLVHFUQM-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N,N-dipropylthiophene-2-sulfonamide
CID 55136537
N-[(3-aminophenyl)methyl]-3-bromo-N-propylthiophene-2-sulfonamide
CID 61457749
N-butyl-3-methyl-N-propylthiophene-2-sulfonamide
CID 66929902
N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide
CID 63234111
methyl 3-[(3-bromothiophen-2-yl)sulfonyl-(2-methylpropyl)amino]propanoate
CID 61069083
3-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 61456255
2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61072800
ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate
CID 61069107
4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111098
3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide
CID 107400610
3-bromo-N-(2-chloroethyl)-N-methylthiophene-2-sulfonamide
CID 63396569
3-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]-2-methylpropanethioamide
CID 54987518

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide (CID 61458158) is 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide is CCCN(CCO)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide?
The InChIKey is IQLSGQBLVHFUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO3S2/c1-2-4-11(5-6-12)16(13,14)9-8(10)3-7-15-9/h3,7,12H,2,4-6H2,1H3.
What are the key properties of 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide?
3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide has a molecular weight of 328.25 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 61458158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).