5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide

C9H15BrN4O2S — CID 106468229

IUPAC5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide
SMILESC=CCCCN(C)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C9H15BrN4O2S/c1-4-5-6-7-13(2)17(15,16)9-8(10)11-12-14(9)3/h4H,1,5-7H2,2-3H3
InChIKeyQNZWOYRNSGNTDB-UHFFFAOYSA-N
MW323.22 g/mol
LogP1.16
Rot. Bonds6

About 5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide

5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide (PubChem CID 106468229) has the molecular formula C9H15BrN4O2S and a molecular weight of 323.22 g/mol. Its IUPAC name is 5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide
PubChem CID106468229
Molecular FormulaC9H15BrN4O2S
Molecular Weight323.22 g/mol
Exact Mass322.01
IUPAC Name5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide
SMILESC=CCCCN(C)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C9H15BrN4O2S/c1-4-5-6-7-13(2)17(15,16)9-8(10)11-12-14(9)3/h4H,1,5-7H2,2-3H3
InChIKeyQNZWOYRNSGNTDB-UHFFFAOYSA-N
XLogP1.16
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-cyanoethyl)-N,3-dimethyltriazole-4-sulfonamide
CID 106466354
5-bromo-N-but-3-enyl-3-methyltriazole-4-sulfonamide
CID 106466294
5-bromo-3-methyl-N-prop-2-enyl-N-propyltriazole-4-sulfonamide
CID 106468130
N-methyl-N-pent-4-enylmethanesulfonamide
CID 115640453
5-bromo-N-(2-chloro-3-methoxypropyl)-N,3-dimethyltriazole-4-sulfonamide
CID 106468358
5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide
CID 106468079
5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
CID 106467538
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,3-dimethyltriazole-4-sulfonamide
CID 106467521
N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
CID 106467081
2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide
CID 115640464
5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467721
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyltriazole-4-sulfonamide
CID 103354592

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide (CID 106468229) is 5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide is C=CCCCN(C)S(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide?
The InChIKey is QNZWOYRNSGNTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O2S/c1-4-5-6-7-13(2)17(15,16)9-8(10)11-12-14(9)3/h4H,1,5-7H2,2-3H3.
What are the key properties of 5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide?
5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide has a molecular weight of 323.22 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide is sourced from PubChem (CID 106468229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).