N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide

C17H17ClN2O3S — CID 23853086

IUPACN-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1Cl
InChIInChI=1S/C17H17ClN2O3S/c1-11-9-13-5-3-4-6-17(13)20(11)24(22,23)14-7-8-16(15(18)10-14)19-12(2)21/h3-8,10-11H,9H2,1-2H3,(H,19,21)
InChIKeyAGEQJWWELLKSQR-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.44
Rot. Bonds3

About N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide

N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide (PubChem CID 23853086) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide
PubChem CID23853086
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1Cl
InChIInChI=1S/C17H17ClN2O3S/c1-11-9-13-5-3-4-6-17(13)20(11)24(22,23)14-7-8-16(15(18)10-14)19-12(2)21/h3-8,10-11H,9H2,1-2H3,(H,19,21)
InChIKeyAGEQJWWELLKSQR-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 66755963
1-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
ethyl N-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962185
ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962182
N-ethyl-2-methoxy-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 132656235
2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 82845026
N-cyclopropyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 109058375
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2336693
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
[(2S)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate
CID 98295833

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide (CID 23853086) is N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide?
The InChIKey is AGEQJWWELLKSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-11-9-13-5-3-4-6-17(13)20(11)24(22,23)14-7-8-16(15(18)10-14)19-12(2)21/h3-8,10-11H,9H2,1-2H3,(H,19,21).
What are the key properties of N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide?
N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide has a molecular weight of 364.85 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide is sourced from PubChem (CID 23853086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).