N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide

C24H29ClN4O2S — CID 56835899

IUPACN-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(Cc1cccc(C(CN)C2(c3ccc(Cl)cc3)CCC2)c1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C24H29ClN4O2S/c1-28-17-22(15-27-28)32(30,31)29(2)16-18-5-3-6-19(13-18)23(14-26)24(11-4-12-24)20-7-9-21(25)10-8-20/h3,5-10,13,15,17,23H,4,11-12,14,16,26H2,1-2H3
InChIKeyXBVOZHLSEUNVSM-UHFFFAOYSA-N
MW473.04 g/mol
LogP4.06
Rot. Bonds8

About N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide

N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 56835899) has the molecular formula C24H29ClN4O2S and a molecular weight of 473.04 g/mol. Its IUPAC name is N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID56835899
Molecular FormulaC24H29ClN4O2S
Molecular Weight473.04 g/mol
Exact Mass472.17
IUPAC NameN-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(Cc1cccc(C(CN)C2(c3ccc(Cl)cc3)CCC2)c1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C24H29ClN4O2S/c1-28-17-22(15-27-28)32(30,31)29(2)16-18-5-3-6-19(13-18)23(14-26)24(11-4-12-24)20-7-9-21(25)10-8-20/h3,5-10,13,15,17,23H,4,11-12,14,16,26H2,1-2H3
InChIKeyXBVOZHLSEUNVSM-UHFFFAOYSA-N
XLogP4.06
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.04
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide (CID 56835899) is N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide is CN(Cc1cccc(C(CN)C2(c3ccc(Cl)cc3)CCC2)c1)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is XBVOZHLSEUNVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2S/c1-28-17-22(15-27-28)32(30,31)29(2)16-18-5-3-6-19(13-18)23(14-26)24(11-4-12-24)20-7-9-21(25)10-8-20/h3,5-10,13,15,17,23H,4,11-12,14,16,26H2,1-2H3.
What are the key properties of N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide?
N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 473.04 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 56835899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).