5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide

C9H11BrClNO3S2 — CID 80577895

IUPAC5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)C1CC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H11BrClNO3S2/c10-9-6(11)3-8(16-9)17(14,15)12-4-7(13)5-1-2-5/h3,5,7,12-13H,1-2,4H2
InChIKeyBBIREVBYBSLVKT-UHFFFAOYSA-N
MW360.68 g/mol
LogP2.21
Rot. Bonds5

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

5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide (PubChem CID 80577895) has the molecular formula C9H11BrClNO3S2 and a molecular weight of 360.68 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide
PubChem CID80577895
Molecular FormulaC9H11BrClNO3S2
Molecular Weight360.68 g/mol
Exact Mass358.91
IUPAC Name5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)C1CC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H11BrClNO3S2/c10-9-6(11)3-8(16-9)17(14,15)12-4-7(13)5-1-2-5/h3,5,7,12-13H,1-2,4H2
InChIKeyBBIREVBYBSLVKT-UHFFFAOYSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide
CID 115302757
N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577887
2-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 80577423
methyl 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-chloropropanoate
CID 103493476
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-cyclopropylethanethioamide
CID 80577614
5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 63296460
N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115685407
4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 63294574
(2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934085
5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide
CID 80578682
methyl 5-bromo-4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]thiophene-2-carboxylate
CID 63298803

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide (CID 80577895) is 5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide is O=S(=O)(NCC(O)C1CC1)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide?
The InChIKey is BBIREVBYBSLVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO3S2/c10-9-6(11)3-8(16-9)17(14,15)12-4-7(13)5-1-2-5/h3,5,7,12-13H,1-2,4H2.
What are the key properties of 5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide has a molecular weight of 360.68 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80577895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).