N-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide

C24H25N5O3S — CID 10161870

IUPACN-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(N(C)C)c4)n3)cc2)cc1
InChIInChI=1S/C24H25N5O3S/c1-28(2)19-5-4-6-20(15-19)29-24(25)16-23(26-29)17-7-9-18(10-8-17)27-33(30,31)22-13-11-21(32-3)12-14-22/h4-16,27H,25H2,1-3H3
InChIKeyIUMCSZISIJSKMT-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.00
Rot. Bonds7

About N-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide

N-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide (PubChem CID 10161870) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide
PubChem CID10161870
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC NameN-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(N(C)C)c4)n3)cc2)cc1
InChIInChI=1S/C24H25N5O3S/c1-28(2)19-5-4-6-20(15-19)29-24(25)16-23(26-29)17-7-9-18(10-8-17)27-33(30,31)22-13-11-21(32-3)12-14-22/h4-16,27H,25H2,1-3H3
InChIKeyIUMCSZISIJSKMT-UHFFFAOYSA-N
XLogP4.00
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide (CID 10161870) is N-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(N(C)C)c4)n3)cc2)cc1.
What is the InChIKey of N-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is IUMCSZISIJSKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-28(2)19-5-4-6-20(15-19)29-24(25)16-23(26-29)17-7-9-18(10-8-17)27-33(30,31)22-13-11-21(32-3)12-14-22/h4-16,27H,25H2,1-3H3.
What are the key properties of N-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide?
N-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 463.56 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-amino-1-[3-(dimethylamino)phenyl]pyrazol-3-yl]phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 10161870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).