3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide

C21H18ClN3O4S2 — CID 58054547

IUPAC3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide
SMILESCOc1cccc2c1c(CS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(C(N)=O)c1
InChIInChI=1S/C21H18ClN3O4S2/c1-29-17-7-3-6-16-20(17)15(12-31(27,28)19-9-8-18(22)30-19)24-25(16)11-13-4-2-5-14(10-13)21(23)26/h2-10H,11-12H2,1H3,(H2,23,26)
InChIKeyQHCHASDKXSOSSA-UHFFFAOYSA-N
MW475.98 g/mol
LogP3.88
Rot. Bonds7

About 3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide

3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide (PubChem CID 58054547) has the molecular formula C21H18ClN3O4S2 and a molecular weight of 475.98 g/mol. Its IUPAC name is 3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide
PubChem CID58054547
Molecular FormulaC21H18ClN3O4S2
Molecular Weight475.98 g/mol
Exact Mass475.04
IUPAC Name3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide
SMILESCOc1cccc2c1c(CS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(C(N)=O)c1
InChIInChI=1S/C21H18ClN3O4S2/c1-29-17-7-3-6-16-20(17)15(12-31(27,28)19-9-8-18(22)30-19)24-25(16)11-13-4-2-5-14(10-13)21(23)26/h2-10H,11-12H2,1H3,(H2,23,26)
InChIKeyQHCHASDKXSOSSA-UHFFFAOYSA-N
XLogP3.88
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-amino-4-[3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]phenyl]butan-2-one
CID 58054484
5-[3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]phenyl]-3-oxopentanamide
CID 58054538
4-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzenesulfonamide
CID 58054539
1-tert-butyl-3-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]urea
CID 162254548
(2R)-2-amino-5-[3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]phenyl]-1-hydroxypentan-3-one;2,2,2-trifluoroacetic acid
CID 158792831
1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole
CID 58054493
3-[3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]phenyl]-1-(2-methylpiperidin-2-yl)propan-1-one
CID 58054503
3-[3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]phenyl]-1-[(1S,3S)-3-fluorocyclopentyl]propan-1-one;2,2,2-trifluoroacetic acid
CID 158541202
tert-butyl 3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazole-1-carboxylate
CID 58054402
tert-butyl N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]carbamate
CID 58054440
2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
CID 59456070
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-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide?
The IUPAC name of 3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide (CID 58054547) is 3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide is COc1cccc2c1c(CS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide?
The InChIKey is QHCHASDKXSOSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4S2/c1-29-17-7-3-6-16-20(17)15(12-31(27,28)19-9-8-18(22)30-19)24-25(16)11-13-4-2-5-14(10-13)21(23)26/h2-10H,11-12H2,1H3,(H2,23,26).
What are the key properties of 3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide?
3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide has a molecular weight of 475.98 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-4-methoxyindazol-1-yl]methyl]benzamide is sourced from PubChem (CID 58054547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).