N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide

C10H13N3O3S — CID 54929638

IUPACN-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C10H13N3O3S/c1-8-10(6-11-12-8)17(14,15)13(2)7-9-4-3-5-16-9/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyHHBYGSRATRLATL-UHFFFAOYSA-N
MW255.30 g/mol
LogP1.13
Rot. Bonds4

About N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 54929638) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID54929638
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C10H13N3O3S/c1-8-10(6-11-12-8)17(14,15)13(2)7-9-4-3-5-16-9/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyHHBYGSRATRLATL-UHFFFAOYSA-N
XLogP1.13
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929716
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282
4-amino-2-bromo-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526690
4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81428830
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
N-(furan-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43527164
N-(furan-2-ylmethyl)-N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935015
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
2-(3-aminoprop-1-ynyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 60845519

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 54929638) is N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(C)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is HHBYGSRATRLATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-8-10(6-11-12-8)17(14,15)13(2)7-9-4-3-5-16-9/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54929638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).