4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide

C8H10BrNO3S2 — CID 130559335

IUPAC4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CC(O)C1)c1cc(Br)cs1
InChIInChI=1S/C8H10BrNO3S2/c9-5-1-8(14-4-5)15(12,13)10-6-2-7(11)3-6/h1,4,6-7,10-11H,2-3H2
InChIKeyBYASICBTWOJXBN-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.31
Rot. Bonds3

About 4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide

4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide (PubChem CID 130559335) has the molecular formula C8H10BrNO3S2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide
PubChem CID130559335
Molecular FormulaC8H10BrNO3S2
Molecular Weight312.21 g/mol
Exact Mass310.93
IUPAC Name4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CC(O)C1)c1cc(Br)cs1
InChIInChI=1S/C8H10BrNO3S2/c9-5-1-8(14-4-5)15(12,13)10-6-2-7(11)3-6/h1,4,6-7,10-11H,2-3H2
InChIKeyBYASICBTWOJXBN-UHFFFAOYSA-N
XLogP1.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromothiophene-2-sulfonohydrazide
CID 82299785
3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 113288378
N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide
CID 146135715
4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 79588779
3-bromo-5-[(3-hydroxycyclobutyl)sulfamoyl]-4-methylbenzoic acid
CID 81488034
4-bromothiophene-2-sulfonyl fluoride
CID 82294546
5-bromo-N-(4-hydroxycyclohexyl)thiophene-2-sulfonamide
CID 43389482
6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83229209
5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 80715544
1-(4-bromothiophen-2-yl)sulfonyl-3-[6-[(4-bromothiophen-2-yl)sulfonylcarbamoylamino]hexyl]urea
CID 24968650
5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
CID 43091190
4-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551656

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide?
The IUPAC name of 4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide (CID 130559335) is 4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide is O=S(=O)(NC1CC(O)C1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide?
The InChIKey is BYASICBTWOJXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3S2/c9-5-1-8(14-4-5)15(12,13)10-6-2-7(11)3-6/h1,4,6-7,10-11H,2-3H2.
What are the key properties of 4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide?
4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide has a molecular weight of 312.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 130559335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).