3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide

C24H22Cl2N4O4S — CID 123287803

IUPAC3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)nn2Cc1cccc(CCC(N)=O)c1
InChIInChI=1S/C24H22Cl2N4O4S/c1-34-21-7-3-6-20-23(21)24(29-35(32,33)17-9-10-18(25)19(26)13-17)28-30(20)14-16-5-2-4-15(12-16)8-11-22(27)31/h2-7,9-10,12-13H,8,11,14H2,1H3,(H2,27,31)(H,28,29)
InChIKeyZNGJPFNRYJBROA-UHFFFAOYSA-N
MW533.44 g/mol
LogP4.62
Rot. Bonds9

About 3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide

3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide (PubChem CID 123287803) has the molecular formula C24H22Cl2N4O4S and a molecular weight of 533.44 g/mol. Its IUPAC name is 3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide
PubChem CID123287803
Molecular FormulaC24H22Cl2N4O4S
Molecular Weight533.44 g/mol
Exact Mass532.07
IUPAC Name3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)nn2Cc1cccc(CCC(N)=O)c1
InChIInChI=1S/C24H22Cl2N4O4S/c1-34-21-7-3-6-20-23(21)24(29-35(32,33)17-9-10-18(25)19(26)13-17)28-30(20)14-16-5-2-4-15(12-16)8-11-22(27)31/h2-7,9-10,12-13H,8,11,14H2,1H3,(H2,27,31)(H,28,29)
InChIKeyZNGJPFNRYJBROA-UHFFFAOYSA-N
XLogP4.62
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.44
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[3-[3-(1-aminocyclopropyl)-3-oxopropyl]phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide
CID 58054381
N-[1-[[3-[3-(1-aminocyclobutyl)-3-oxopropyl]phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 162213455
2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
CID 59456070
(2S)-2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]propanamide
CID 59456032
(2S)-2-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methylamino]-4-methylpentanamide
CID 71238003
5-[3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]phenyl]-3-oxopentanamide
CID 58054538
(2S)-4-amino-2-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methylamino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 66617143
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 66664381
(2S)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)propanamide
CID 59456106
N-[1-[[3-[(ethylideneamino)methyl]phenyl]methyl]-4-methoxyindazol-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 123211229
(2S)-2-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl-methylamino]propanamide;2,2,2-trifluoroacetic acid
CID 66664419
3-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methylcarbamoyl]benzoic acid
CID 59456094

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide?
The IUPAC name of 3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide (CID 123287803) is 3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide.
What is the SMILES notation for 3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide?
The canonical SMILES for 3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide is COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)nn2Cc1cccc(CCC(N)=O)c1.
What is the InChIKey of 3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide?
The InChIKey is ZNGJPFNRYJBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O4S/c1-34-21-7-3-6-20-23(21)24(29-35(32,33)17-9-10-18(25)19(26)13-17)28-30(20)14-16-5-2-4-15(12-16)8-11-22(27)31/h2-7,9-10,12-13H,8,11,14H2,1H3,(H2,27,31)(H,28,29).
What are the key properties of 3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide?
3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide has a molecular weight of 533.44 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide is sourced from PubChem (CID 123287803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).