[(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate

C16H16N2O5S — CID 22941889

IUPAC[(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2OC(N)=O)cc1
InChIInChI=1S/C16H16N2O5S/c1-22-12-6-8-13(9-7-12)24(20,21)18-14-5-3-2-4-11(14)10-15(18)23-16(17)19/h2-9,15H,10H2,1H3,(H2,17,19)/t15-/m1/s1
InChIKeyMZDUNWKMYRVWHR-OAHLLOKOSA-N
MW348.38 g/mol
LogP1.87
Rot. Bonds4

About [(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate

[(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate (PubChem CID 22941889) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is [(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate.

Molecular Properties

Compound Name[(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate
PubChem CID22941889
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name[(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2OC(N)=O)cc1
InChIInChI=1S/C16H16N2O5S/c1-22-12-6-8-13(9-7-12)24(20,21)18-14-5-3-2-4-11(14)10-15(18)23-16(17)19/h2-9,15H,10H2,1H3,(H2,17,19)/t15-/m1/s1
InChIKeyMZDUNWKMYRVWHR-OAHLLOKOSA-N
XLogP1.87
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 16831405
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
[(1R)-2-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl] carbamate
CID 69440491
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 67437069
(2S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845806
2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole
CID 110710854
(4-methoxyphenyl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 16578218
N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
CID 18714977
5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239527
(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 60606512

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate?
The IUPAC name of [(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate (CID 22941889) is [(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate.
What is the SMILES notation for [(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate?
The canonical SMILES for [(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate is COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2OC(N)=O)cc1.
What is the InChIKey of [(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate?
The InChIKey is MZDUNWKMYRVWHR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-22-12-6-8-13(9-7-12)24(20,21)18-14-5-3-2-4-11(14)10-15(18)23-16(17)19/h2-9,15H,10H2,1H3,(H2,17,19)/t15-/m1/s1.
What are the key properties of [(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate?
[(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate has a molecular weight of 348.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate is sourced from PubChem (CID 22941889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).