5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide

C11H17BrN4O3S — CID 106467532

IUPAC5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C11H17BrN4O3S/c1-15-11(10(12)13-14-15)20(17,18)16(9-2-3-9)6-8-4-5-19-7-8/h8-9H,2-7H2,1H3
InChIKeyJPAUMGGZXZFPCC-UHFFFAOYSA-N
MW365.25 g/mol
LogP0.77
Rot. Bonds5

About 5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide

5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide (PubChem CID 106467532) has the molecular formula C11H17BrN4O3S and a molecular weight of 365.25 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide
PubChem CID106467532
Molecular FormulaC11H17BrN4O3S
Molecular Weight365.25 g/mol
Exact Mass364.02
IUPAC Name5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C11H17BrN4O3S/c1-15-11(10(12)13-14-15)20(17,18)16(9-2-3-9)6-8-4-5-19-7-8/h8-9H,2-7H2,1H3
InChIKeyJPAUMGGZXZFPCC-UHFFFAOYSA-N
XLogP0.77
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467721
5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466981
N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697581
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 54877023
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
CID 78872535
N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 47814417
5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466979
N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697628
3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697634
N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
CID 106467081
3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 86986018
3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61138357

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide (CID 106467532) is 5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide is Cn1nnc(Br)c1S(=O)(=O)N(CC1CCOC1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide?
The InChIKey is JPAUMGGZXZFPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O3S/c1-15-11(10(12)13-14-15)20(17,18)16(9-2-3-9)6-8-4-5-19-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide?
5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide has a molecular weight of 365.25 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide is sourced from PubChem (CID 106467532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).