N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide

C16H18N4O3S — CID 71930007

IUPACN-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccco1)c1ccccn1
InChIInChI=1S/C16H18N4O3S/c1-12-16(13(2)19(3)18-12)24(21,22)20(11-14-7-6-10-23-14)15-8-4-5-9-17-15/h4-10H,11H2,1-3H3
InChIKeyZFCSTEYPVLCYOW-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.42
Rot. Bonds5

About N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide

N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide (PubChem CID 71930007) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide
PubChem CID71930007
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccco1)c1ccccn1
InChIInChI=1S/C16H18N4O3S/c1-12-16(13(2)19(3)18-12)24(21,22)20(11-14-7-6-10-23-14)15-8-4-5-9-17-15/h4-10H,11H2,1-3H3
InChIKeyZFCSTEYPVLCYOW-UHFFFAOYSA-N
XLogP2.42
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 56795188
N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 110892021
3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
CID 51086083
N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 110705697
N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46994739
1-[(4-bromophenyl)methyl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 36660020
N-(1H-imidazol-2-ylmethyl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 64519581
N,N-diethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19682136
N-(2-aminoethyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 120584267
N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 17490202
2,6-difluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906808
2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid
CID 126459099

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide (CID 71930007) is N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccco1)c1ccccn1.
What is the InChIKey of N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide?
The InChIKey is ZFCSTEYPVLCYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-12-16(13(2)19(3)18-12)24(21,22)20(11-14-7-6-10-23-14)15-8-4-5-9-17-15/h4-10H,11H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide?
N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71930007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).