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

C20H18ClN3O4S2 — CID 59456072

IUPAC5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc32)cc1
InChIInChI=1S/C20H18ClN3O4S2/c1-27-14-8-6-13(7-9-14)12-24-15-4-3-5-16(28-2)19(15)20(22-24)23-30(25,26)18-11-10-17(21)29-18/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyKRFLBASXPLOGJA-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.62
Rot. Bonds7

About 5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide

5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide (PubChem CID 59456072) has the molecular formula C20H18ClN3O4S2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
PubChem CID59456072
Molecular FormulaC20H18ClN3O4S2
Molecular Weight463.97 g/mol
Exact Mass463.04
IUPAC Name5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc32)cc1
InChIInChI=1S/C20H18ClN3O4S2/c1-27-14-8-6-13(7-9-14)12-24-15-4-3-5-16(28-2)19(15)20(22-24)23-30(25,26)18-11-10-17(21)29-18/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyKRFLBASXPLOGJA-UHFFFAOYSA-N
XLogP4.62
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide (CID 59456072) is 5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide is COc1ccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc32)cc1.
What is the InChIKey of 5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is KRFLBASXPLOGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S2/c1-27-14-8-6-13(7-9-14)12-24-15-4-3-5-16(28-2)19(15)20(22-24)23-30(25,26)18-11-10-17(21)29-18/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of 5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 463.97 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59456072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).