5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide

C8H7BrN2O3S2 — CID 103940604

IUPAC5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccno1)c1ccc(Br)s1
InChIInChI=1S/C8H7BrN2O3S2/c9-7-1-2-8(15-7)16(12,13)11-5-6-3-4-10-14-6/h1-4,11H,5H2
InChIKeyUKBWZUSKVVZMLI-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.98
Rot. Bonds4

About 5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide

5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide (PubChem CID 103940604) has the molecular formula C8H7BrN2O3S2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide
PubChem CID103940604
Molecular FormulaC8H7BrN2O3S2
Molecular Weight323.19 g/mol
Exact Mass321.91
IUPAC Name5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccno1)c1ccc(Br)s1
InChIInChI=1S/C8H7BrN2O3S2/c9-7-1-2-8(15-7)16(12,13)11-5-6-3-4-10-14-6/h1-4,11H,5H2
InChIKeyUKBWZUSKVVZMLI-UHFFFAOYSA-N
XLogP1.98
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106423820
N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106424030
5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 3745501
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106423589
5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714729
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
5-bromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 6737105
2-bromo-5-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424019
5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 61059094
5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 104600366
N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-5-sulfonamide
CID 104600364

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide (CID 103940604) is 5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1ccno1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is UKBWZUSKVVZMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O3S2/c9-7-1-2-8(15-7)16(12,13)11-5-6-3-4-10-14-6/h1-4,11H,5H2.
What are the key properties of 5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide?
5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 323.19 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 103940604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).