1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide

C16H23ClN2O5S — CID 118906183

IUPAC1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cc2c(cc1Cl)CCN2C(C)=O
InChIInChI=1S/C16H23ClN2O5S/c1-12(20)19-5-4-13-10-14(17)16(11-15(13)19)25(21,22)18(6-8-23-2)7-9-24-3/h10-11H,4-9H2,1-3H3
InChIKeyVHDVIBPWCXWBPD-UHFFFAOYSA-N
MW390.89 g/mol
LogP1.53
Rot. Bonds8

About 1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide

1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 118906183) has the molecular formula C16H23ClN2O5S and a molecular weight of 390.89 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID118906183
Molecular FormulaC16H23ClN2O5S
Molecular Weight390.89 g/mol
Exact Mass390.10
IUPAC Name1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cc2c(cc1Cl)CCN2C(C)=O
InChIInChI=1S/C16H23ClN2O5S/c1-12(20)19-5-4-13-10-14(17)16(11-15(13)19)25(21,22)18(6-8-23-2)7-9-24-3/h10-11H,4-9H2,1-3H3
InChIKeyVHDVIBPWCXWBPD-UHFFFAOYSA-N
XLogP1.53
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
CID 46503628
1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide
CID 118906205
1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate
CID 160831587
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
CID 161326108
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide
CID 3267786
1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 59468850
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide
CID 110307285
1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide
CID 118906031
1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide
CID 118906147
4-acetyl-6-chloro-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 22550909
1-acetyl-N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 17488819

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide (CID 118906183) is 1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide is COCCN(CCOC)S(=O)(=O)c1cc2c(cc1Cl)CCN2C(C)=O.
What is the InChIKey of 1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is VHDVIBPWCXWBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O5S/c1-12(20)19-5-4-13-10-14(17)16(11-15(13)19)25(21,22)18(6-8-23-2)7-9-24-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide?
1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 390.89 g/mol, XLogP of 1.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 118906183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).