N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide

C8H13BrClN3O2S — CID 106316010

IUPACN-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide
SMILESCCN(CCBr)S(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C8H13BrClN3O2S/c1-3-13(5-4-9)16(14,15)8-7(10)6-11-12(8)2/h6H,3-5H2,1-2H3
InChIKeyWURBBCUZKCENFS-UHFFFAOYSA-N
MW330.64 g/mol
LogP1.48
Rot. Bonds5

About N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide

N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide (PubChem CID 106316010) has the molecular formula C8H13BrClN3O2S and a molecular weight of 330.64 g/mol. Its IUPAC name is N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide
PubChem CID106316010
Molecular FormulaC8H13BrClN3O2S
Molecular Weight330.64 g/mol
Exact Mass328.96
IUPAC NameN-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide
SMILESCCN(CCBr)S(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C8H13BrClN3O2S/c1-3-13(5-4-9)16(14,15)8-7(10)6-11-12(8)2/h6H,3-5H2,1-2H3
InChIKeyWURBBCUZKCENFS-UHFFFAOYSA-N
XLogP1.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.64
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-4-chloro-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-sulfonamide
CID 114172631
N-(3-bromopropyl)-4-chloro-1-methyl-N-propan-2-ylpyrazole-5-sulfonamide
CID 114172595
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonyl-ethylamino]-2-methylpropanethioamide
CID 106314518
N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 80676344
4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide
CID 106150868
N-(4-aminophenyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide
CID 106313858
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 114172317
4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide
CID 106150631
4-chloro-N-(2-chloroethyl)-N-cyclobutyl-1-methylpyrazole-5-sulfonamide
CID 106316187
4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide
CID 106150787
4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
CID 106316125
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316226

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide (CID 106316010) is N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide is CCN(CCBr)S(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide?
The InChIKey is WURBBCUZKCENFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrClN3O2S/c1-3-13(5-4-9)16(14,15)8-7(10)6-11-12(8)2/h6H,3-5H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide?
N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide has a molecular weight of 330.64 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106316010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).