N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide

C20H19N3O4S2 — CID 66617057

IUPACN-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccccc1Cn1nc(NS(=O)(=O)c2cccs2)c2c(OC)cccc21
InChIInChI=1S/C20H19N3O4S2/c1-26-16-9-4-3-7-14(16)13-23-15-8-5-10-17(27-2)19(15)20(21-23)22-29(24,25)18-11-6-12-28-18/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyJXBIHNSFESABSL-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.96
Rot. Bonds7

About N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide

N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide (PubChem CID 66617057) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
PubChem CID66617057
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC NameN-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccccc1Cn1nc(NS(=O)(=O)c2cccs2)c2c(OC)cccc21
InChIInChI=1S/C20H19N3O4S2/c1-26-16-9-4-3-7-14(16)13-23-15-8-5-10-17(27-2)19(15)20(21-23)22-29(24,25)18-11-6-12-28-18/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyJXBIHNSFESABSL-UHFFFAOYSA-N
XLogP3.96
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide
CID 66616938
N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide
CID 67113911
(2S)-2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]propanamide
CID 59456032
(2S)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)propanamide
CID 59456106
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 66664381
N-[1-[[3-[3-(1-aminocyclopropyl)-3-oxopropyl]phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide
CID 58054381
3-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methylcarbamoyl]benzoic acid
CID 59456094
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 59456108
(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide
CID 59456087
(2S)-2-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methylamino]-4-methylpentanamide
CID 71238003

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide (CID 66617057) is N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide is COc1ccccc1Cn1nc(NS(=O)(=O)c2cccs2)c2c(OC)cccc21.
What is the InChIKey of N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is JXBIHNSFESABSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-26-16-9-4-3-7-14(16)13-23-15-8-5-10-17(27-2)19(15)20(21-23)22-29(24,25)18-11-6-12-28-18/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 429.52 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 66617057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).