N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide

C9H12BrNO2S2 — CID 114294509

IUPACN-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(Br)C1CC1)c1cccs1
InChIInChI=1S/C9H12BrNO2S2/c10-8(7-3-4-7)6-11-15(12,13)9-2-1-5-14-9/h1-2,5,7-8,11H,3-4,6H2
InChIKeyUVSBEIHZJGVSHD-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.20
Rot. Bonds5

About N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide

N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide (PubChem CID 114294509) has the molecular formula C9H12BrNO2S2 and a molecular weight of 310.24 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide
PubChem CID114294509
Molecular FormulaC9H12BrNO2S2
Molecular Weight310.24 g/mol
Exact Mass308.95
IUPAC NameN-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(Br)C1CC1)c1cccs1
InChIInChI=1S/C9H12BrNO2S2/c10-8(7-3-4-7)6-11-15(12,13)9-2-1-5-14-9/h1-2,5,7-8,11H,3-4,6H2
InChIKeyUVSBEIHZJGVSHD-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(dicyclopropylmethyl)thiophene-2-sulfonamide
CID 31846779
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 66168152
N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 114295389
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
N-[2-(cyclopentylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110345804
N-(3-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 86589102
2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 62882270
N-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 119423527
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 45003189
N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide
CID 91354078
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide (CID 114294509) is N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide is O=S(=O)(NCC(Br)C1CC1)c1cccs1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide?
The InChIKey is UVSBEIHZJGVSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S2/c10-8(7-3-4-7)6-11-15(12,13)9-2-1-5-14-9/h1-2,5,7-8,11H,3-4,6H2.
What are the key properties of N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide?
N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide has a molecular weight of 310.24 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114294509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).