5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide

C9H13BrClNO3S2 — CID 80577825

IUPAC5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H13BrClNO3S2/c1-2-3-12(4-5-13)17(14,15)8-6-7(11)9(10)16-8/h6,13H,2-5H2,1H3
InChIKeyTWRHYMMJHNMECL-UHFFFAOYSA-N
MW362.70 g/mol
LogP2.56
Rot. Bonds6

About 5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide

5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide (PubChem CID 80577825) has the molecular formula C9H13BrClNO3S2 and a molecular weight of 362.70 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
PubChem CID80577825
Molecular FormulaC9H13BrClNO3S2
Molecular Weight362.70 g/mol
Exact Mass360.92
IUPAC Name5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H13BrClNO3S2/c1-2-3-12(4-5-13)17(14,15)8-6-7(11)9(10)16-8/h6,13H,2-5H2,1H3
InChIKeyTWRHYMMJHNMECL-UHFFFAOYSA-N
XLogP2.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-N-(2-chloroethyl)-N-propylthiophene-2-sulfonamide
CID 80578653
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-methylamino]propanoic acid
CID 80577302
5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106631369
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 80577988
N-(4-aminophenyl)-5-bromo-4-chloro-N-propylthiophene-2-sulfonamide
CID 80576694
N-(2-hydroxyethyl)-5-methyl-N-propylthiophene-2-sulfonamide
CID 61424596
5-bromo-N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106609210
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 39456166
5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide
CID 115755413
ethyl 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 80578582
2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 50876906
2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 60956798

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide (CID 80577825) is 5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide is CCCN(CCO)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide?
The InChIKey is TWRHYMMJHNMECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrClNO3S2/c1-2-3-12(4-5-13)17(14,15)8-6-7(11)9(10)16-8/h6,13H,2-5H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide?
5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide has a molecular weight of 362.70 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 80577825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).