N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide

C26H24N4O3S — CID 139489528

IUPACN-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(COc2ccc(CCNS(=O)(=O)c3ccccc3)cc2)c1C#N
InChIInChI=1S/C26H24N4O3S/c1-20-25(18-27)26(30(29-20)22-8-4-2-5-9-22)19-33-23-14-12-21(13-15-23)16-17-28-34(31,32)24-10-6-3-7-11-24/h2-15,28H,16-17,19H2,1H3
InChIKeyQIVSQXUTEPWQQX-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.15
Rot. Bonds9

About N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide

N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide (PubChem CID 139489528) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide
PubChem CID139489528
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC NameN-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(COc2ccc(CCNS(=O)(=O)c3ccccc3)cc2)c1C#N
InChIInChI=1S/C26H24N4O3S/c1-20-25(18-27)26(30(29-20)22-8-4-2-5-9-22)19-33-23-14-12-21(13-15-23)16-17-28-34(31,32)24-10-6-3-7-11-24/h2-15,28H,16-17,19H2,1H3
InChIKeyQIVSQXUTEPWQQX-UHFFFAOYSA-N
XLogP4.15
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[4-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]phenyl]ethyl]carbamate
CID 175068465
tert-butyl 2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]acetate
CID 159646520
5-[[4-(cyanomethyl)phenoxy]methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile;5-[(2,3-dimethylphenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile
CID 139489509
5-[[3-(2-hydroxyethyl)phenoxy]methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile
CID 139489516
1-(2-fluorophenyl)-5-[[4-(2-hydroxyethyl)phenoxy]methyl]-3-methylpyrazole-4-carbonitrile
CID 155672057
(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate
CID 27916447
(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate
CID 55403187
5-[(4-ethyl-2-oxochromen-7-yl)oxymethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile
CID 30909183
(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-[(4-butoxybenzoyl)amino]acetate
CID 27928898
5-[(4-methoxyanilino)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile
CID 2104000
(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 25309152
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide (CID 139489528) is N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide is Cc1nn(-c2ccccc2)c(COc2ccc(CCNS(=O)(=O)c3ccccc3)cc2)c1C#N.
What is the InChIKey of N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide?
The InChIKey is QIVSQXUTEPWQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-20-25(18-27)26(30(29-20)22-8-4-2-5-9-22)19-33-23-14-12-21(13-15-23)16-17-28-34(31,32)24-10-6-3-7-11-24/h2-15,28H,16-17,19H2,1H3.
What are the key properties of N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide?
N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide has a molecular weight of 472.57 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 139489528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).