N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide

C9H11BrN4O3S — CID 126823213

IUPACN-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2cc(Br)no2)cn1
InChIInChI=1S/C9H11BrN4O3S/c1-2-14-6-8(5-11-14)18(15,16)12-4-7-3-9(10)13-17-7/h3,5-6,12H,2,4H2,1H3
InChIKeyWPOBKYUXJQLNBP-UHFFFAOYSA-N
MW335.18 g/mol
LogP1.13
Rot. Bonds5

About N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide

N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 126823213) has the molecular formula C9H11BrN4O3S and a molecular weight of 335.18 g/mol. Its IUPAC name is N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID126823213
Molecular FormulaC9H11BrN4O3S
Molecular Weight335.18 g/mol
Exact Mass333.97
IUPAC NameN-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2cc(Br)no2)cn1
InChIInChI=1S/C9H11BrN4O3S/c1-2-14-6-8(5-11-14)18(15,16)12-4-7-3-9(10)13-17-7/h3,5-6,12H,2,4H2,1H3
InChIKeyWPOBKYUXJQLNBP-UHFFFAOYSA-N
XLogP1.13
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
CID 154787180
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 19582268
1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 6470938
1-[2-(ethylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106423967
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19684607
1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106423982
N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 19680759
1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide
CID 19684163
1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide
CID 56749618
1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 56793257

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide (CID 126823213) is N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2cc(Br)no2)cn1.
What is the InChIKey of N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is WPOBKYUXJQLNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O3S/c1-2-14-6-8(5-11-14)18(15,16)12-4-7-3-9(10)13-17-7/h3,5-6,12H,2,4H2,1H3.
What are the key properties of N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 335.18 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 126823213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).