[1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate

C16H14N2O6S2 — CID 175558135

IUPAC[1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate
SMILESCS(=O)(=O)c1ccc(OC(N)=O)c2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O6S2/c1-25(20,21)14-8-7-13(24-16(17)19)15-12(14)9-10-18(15)26(22,23)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,19)
InChIKeyUPVTXAXRJLSTPO-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.74
Rot. Bonds4

About [1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate

[1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate (PubChem CID 175558135) has the molecular formula C16H14N2O6S2 and a molecular weight of 394.43 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate
PubChem CID175558135
Molecular FormulaC16H14N2O6S2
Molecular Weight394.43 g/mol
Exact Mass394.03
IUPAC Name[1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate
SMILESCS(=O)(=O)c1ccc(OC(N)=O)c2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O6S2/c1-25(20,21)14-8-7-13(24-16(17)19)15-12(14)9-10-18(15)26(22,23)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,19)
InChIKeyUPVTXAXRJLSTPO-UHFFFAOYSA-N
XLogP1.74
TPSA125.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate?
The IUPAC name of [1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate (CID 175558135) is [1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate.
What is the SMILES notation for [1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate?
The canonical SMILES for [1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate is CS(=O)(=O)c1ccc(OC(N)=O)c2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate?
The InChIKey is UPVTXAXRJLSTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S2/c1-25(20,21)14-8-7-13(24-16(17)19)15-12(14)9-10-18(15)26(22,23)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,19).
What are the key properties of [1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate?
[1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate has a molecular weight of 394.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-4-methylsulfonylindol-7-yl] carbamate is sourced from PubChem (CID 175558135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).