N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide

C11H19BrClN3O2S — CID 114172636

IUPACN-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C11H19BrClN3O2S/c1-3-4-9(5-6-12)7-15-19(17,18)11-10(13)8-14-16(11)2/h8-9,15H,3-7H2,1-2H3
InChIKeySVVGCSDZWXAWCH-UHFFFAOYSA-N
MW372.72 g/mol
LogP2.55
Rot. Bonds8

About N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide

N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide (PubChem CID 114172636) has the molecular formula C11H19BrClN3O2S and a molecular weight of 372.72 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide
PubChem CID114172636
Molecular FormulaC11H19BrClN3O2S
Molecular Weight372.72 g/mol
Exact Mass371.01
IUPAC NameN-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C11H19BrClN3O2S/c1-3-4-9(5-6-12)7-15-19(17,18)11-10(13)8-14-16(11)2/h8-9,15H,3-7H2,1-2H3
InChIKeySVVGCSDZWXAWCH-UHFFFAOYSA-N
XLogP2.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-2-methylpropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316093
methyl 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-iodopropanoate
CID 114172625
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
CID 114150458
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
N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide
CID 106118415
6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-4-ethylhexanoic acid
CID 106314106
N-[3-(bromomethyl)pentan-3-yl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316050
N-(4-bromopentan-2-yl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316126
5-bromo-N-[2-(2-chloroethyl)pentyl]-3-methyltriazole-4-sulfonamide
CID 106118248
4-chloro-N-(4-cyanobutyl)-1-methylpyrazole-5-sulfonamide
CID 106150633
N-[2-(2-bromoethyl)pentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106118418

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide (CID 114172636) is N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide is CCCC(CCBr)CNS(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide?
The InChIKey is SVVGCSDZWXAWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrClN3O2S/c1-3-4-9(5-6-12)7-15-19(17,18)11-10(13)8-14-16(11)2/h8-9,15H,3-7H2,1-2H3.
What are the key properties of N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide?
N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide has a molecular weight of 372.72 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 114172636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).