5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide

C19H21N3O5S — CID 124851679

IUPAC5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)cc1C(N)=O
InChIInChI=1S/C19H21N3O5S/c1-22-8-7-12-9-13(3-5-16(12)22)17(23)11-21-28(25,26)14-4-6-18(27-2)15(10-14)19(20)24/h3-10,17,21,23H,11H2,1-2H3,(H2,20,24)/t17-/m0/s1
InChIKeySSIWVJJUKJNQPX-KRWDZBQOSA-N
MW403.46 g/mol
LogP1.30
Rot. Bonds7

About 5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide

5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide (PubChem CID 124851679) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide
PubChem CID124851679
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)cc1C(N)=O
InChIInChI=1S/C19H21N3O5S/c1-22-8-7-12-9-13(3-5-16(12)22)17(23)11-21-28(25,26)14-4-6-18(27-2)15(10-14)19(20)24/h3-10,17,21,23H,11H2,1-2H3,(H2,20,24)/t17-/m0/s1
InChIKeySSIWVJJUKJNQPX-KRWDZBQOSA-N
XLogP1.30
TPSA123.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
CID 121179869
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 124842203
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide
CID 121179927
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 121179898
2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
CID 124760956
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-difluorobenzenesulfonamide
CID 90613483
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
5-[2,2-bis(furan-2-yl)ethylsulfamoyl]-2-methoxybenzamide
CID 131703692
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 90613477
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 91817720
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide?
The IUPAC name of 5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide (CID 124851679) is 5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide?
The canonical SMILES for 5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)cc1C(N)=O.
What is the InChIKey of 5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide?
The InChIKey is SSIWVJJUKJNQPX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-22-8-7-12-9-13(3-5-16(12)22)17(23)11-21-28(25,26)14-4-6-18(27-2)15(10-14)19(20)24/h3-10,17,21,23H,11H2,1-2H3,(H2,20,24)/t17-/m0/s1.
What are the key properties of 5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide?
5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide has a molecular weight of 403.46 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 124851679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).