N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

C16H19N3O5S2 — CID 4061399

IUPACN-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccco1
InChIInChI=1S/C16H19N3O5S2/c1-3-26(22,23)19-15(16-5-4-10-24-16)11-14(17-19)12-6-8-13(9-7-12)18-25(2,20)21/h4-10,15,18H,3,11H2,1-2H3
InChIKeyLASSMRAWHIDRFD-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.15
Rot. Bonds6

About N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 4061399) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID4061399
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC NameN-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccco1
InChIInChI=1S/C16H19N3O5S2/c1-3-26(22,23)19-15(16-5-4-10-24-16)11-14(17-19)12-6-8-13(9-7-12)18-25(2,20)21/h4-10,15,18H,3,11H2,1-2H3
InChIKeyLASSMRAWHIDRFD-UHFFFAOYSA-N
XLogP2.15
TPSA109.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(2-ethylbutanoyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 20851872
N-[4-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 41168402
N-[4-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 40819624
(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 7118368
3-(furan-2-yl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 3153490
(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 846237
N-[4-[(3S)-2-(3-fluorobenzoyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 51467165
N-[4-[3-(2,4-dimethoxyphenyl)-2-ethylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71916495
N-[3-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 5181205
N-[4-[3-(2-fluorophenyl)-2-propylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 5054109
N-[3-[(3R)-3-(furan-2-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 41043630
N-[2-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 95789510

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 4061399) is N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccco1.
What is the InChIKey of N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is LASSMRAWHIDRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-3-26(22,23)19-15(16-5-4-10-24-16)11-14(17-19)12-6-8-13(9-7-12)18-25(2,20)21/h4-10,15,18H,3,11H2,1-2H3.
What are the key properties of N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 397.48 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 4061399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).