N-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide

C24H25N3O5S2 — CID 95789413

IUPACN-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C24H25N3O5S2/c1-3-33(28,29)26-22-12-8-7-11-21(22)23-17-24(18-9-5-4-6-10-18)27(25-23)34(30,31)20-15-13-19(32-2)14-16-20/h4-16,24,26H,3,17H2,1-2H3/t24-/m0/s1
InChIKeyVSBKGHAAHNMSKZ-DEOSSOPVSA-N
MW499.61 g/mol
LogP4.00
Rot. Bonds8

About N-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide

N-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide (PubChem CID 95789413) has the molecular formula C24H25N3O5S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is N-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
PubChem CID95789413
Molecular FormulaC24H25N3O5S2
Molecular Weight499.61 g/mol
Exact Mass499.12
IUPAC NameN-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C24H25N3O5S2/c1-3-33(28,29)26-22-12-8-7-11-21(22)23-17-24(18-9-5-4-6-10-18)27(25-23)34(30,31)20-15-13-19(32-2)14-16-20/h4-16,24,26H,3,17H2,1-2H3/t24-/m0/s1
InChIKeyVSBKGHAAHNMSKZ-DEOSSOPVSA-N
XLogP4.00
TPSA105.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3R)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 41029681
N-[4-[3-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 5076103
N-[4-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 41043435
N-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 3452935
N-[2-[(3S)-2-(4-fluorophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 95789401
N-[2-[(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 95789416
N-[4-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 41043485
N-[3-[(3R)-3-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 96543179
N-[4-[(3S)-2-(3-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 99801464
(3R)-2-(benzenesulfonyl)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 41056967
(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 1022183
N-[2-[2-(3-fluorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 119038813

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide (CID 95789413) is N-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(OC)cc2)[C@H](c2ccccc2)C1.
What is the InChIKey of N-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The InChIKey is VSBKGHAAHNMSKZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25N3O5S2/c1-3-33(28,29)26-22-12-8-7-11-21(22)23-17-24(18-9-5-4-6-10-18)27(25-23)34(30,31)20-15-13-19(32-2)14-16-20/h4-16,24,26H,3,17H2,1-2H3/t24-/m0/s1.
What are the key properties of N-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
N-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide has a molecular weight of 499.61 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 95789413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).