N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide

C10H12BrN5O2S — CID 154787180

IUPACN-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ncc(Br)cn2)cn1
InChIInChI=1S/C10H12BrN5O2S/c1-2-16-7-9(5-14-16)19(17,18)15-6-10-12-3-8(11)4-13-10/h3-5,7,15H,2,6H2,1H3
InChIKeyBODVGQKXAYXVIB-UHFFFAOYSA-N
MW346.21 g/mol
LogP0.93
Rot. Bonds5

About N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide

N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 154787180) has the molecular formula C10H12BrN5O2S and a molecular weight of 346.21 g/mol. Its IUPAC name is N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID154787180
Molecular FormulaC10H12BrN5O2S
Molecular Weight346.21 g/mol
Exact Mass344.99
IUPAC NameN-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ncc(Br)cn2)cn1
InChIInChI=1S/C10H12BrN5O2S/c1-2-16-7-9(5-14-16)19(17,18)15-6-10-12-3-8(11)4-13-10/h3-5,7,15H,2,6H2,1H3
InChIKeyBODVGQKXAYXVIB-UHFFFAOYSA-N
XLogP0.93
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide
CID 126823213
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-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide
CID 126837841
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 91911666
1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106093615
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-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
CID 114185407
1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 126841204

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide (CID 154787180) is N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2ncc(Br)cn2)cn1.
What is the InChIKey of N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is BODVGQKXAYXVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O2S/c1-2-16-7-9(5-14-16)19(17,18)15-6-10-12-3-8(11)4-13-10/h3-5,7,15H,2,6H2,1H3.
What are the key properties of N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 346.21 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 154787180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).