N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide

C24H25N5O2S — CID 26447742

IUPACN-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2cnn(-c3ccccc3)c2)nc1
InChIInChI=1S/C24H25N5O2S/c1-3-29(22-12-8-5-9-13-22)32(30,31)23-14-15-24(25-17-23)27(2)18-20-16-26-28(19-20)21-10-6-4-7-11-21/h4-17,19H,3,18H2,1-2H3
InChIKeyYSQSDDDVCRPTDP-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.12
Rot. Bonds8

About N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide

N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide (PubChem CID 26447742) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide
PubChem CID26447742
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2cnn(-c3ccccc3)c2)nc1
InChIInChI=1S/C24H25N5O2S/c1-3-29(22-12-8-5-9-13-22)32(30,31)23-14-15-24(25-17-23)27(2)18-20-16-26-28(19-20)21-10-6-4-7-11-21/h4-17,19H,3,18H2,1-2H3
InChIKeyYSQSDDDVCRPTDP-UHFFFAOYSA-N
XLogP4.12
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide
CID 9107044
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine
CID 71847517
N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide
CID 4816822
1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 111105745
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide
CID 20937294
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 25487197
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26541420

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide (CID 26447742) is N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2cnn(-c3ccccc3)c2)nc1.
What is the InChIKey of N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide?
The InChIKey is YSQSDDDVCRPTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-3-29(22-12-8-5-9-13-22)32(30,31)23-14-15-24(25-17-23)27(2)18-20-16-26-28(19-20)21-10-6-4-7-11-21/h4-17,19H,3,18H2,1-2H3.
What are the key properties of N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide has a molecular weight of 447.56 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 26447742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).