(1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide

C21H18ClNO3S — CID 135309804

IUPAC(1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
SMILESC[C@]1(C(=O)NS(=O)(=O)c2cccc3ccccc23)CCc2cccc(Cl)c21
InChIInChI=1S/C21H18ClNO3S/c1-21(13-12-15-8-4-10-17(22)19(15)21)20(24)23-27(25,26)18-11-5-7-14-6-2-3-9-16(14)18/h2-11H,12-13H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyNESXZYBKFFAEAO-NRFANRHFSA-N
MW399.90 g/mol
LogP4.20
Rot. Bonds3

About (1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide

(1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135309804) has the molecular formula C21H18ClNO3S and a molecular weight of 399.90 g/mol. Its IUPAC name is (1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name(1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
PubChem CID135309804
Molecular FormulaC21H18ClNO3S
Molecular Weight399.90 g/mol
Exact Mass399.07
IUPAC Name(1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
SMILESC[C@]1(C(=O)NS(=O)(=O)c2cccc3ccccc23)CCc2cccc(Cl)c21
InChIInChI=1S/C21H18ClNO3S/c1-21(13-12-15-8-4-10-17(22)19(15)21)20(24)23-27(25,26)18-11-5-7-14-6-2-3-9-16(14)18/h2-11H,12-13H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyNESXZYBKFFAEAO-NRFANRHFSA-N
XLogP4.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,3-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135309674
4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309746
4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309755
4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309793
4-chloro-1-ethyl-N-[2-methyl-6-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309795
4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135310004
4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
CID 135310054
4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135310173
4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135310244
4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135310327
4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135310329
4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309683

Frequently Asked Questions

What is the IUPAC name of (1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of (1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide (CID 135309804) is (1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for (1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for (1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide is C[C@]1(C(=O)NS(=O)(=O)c2cccc3ccccc23)CCc2cccc(Cl)c21.
What is the InChIKey of (1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is NESXZYBKFFAEAO-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18ClNO3S/c1-21(13-12-15-8-4-10-17(22)19(15)21)20(24)23-27(25,26)18-11-5-7-14-6-2-3-9-16(14)18/h2-11H,12-13H2,1H3,(H,23,24)/t21-/m0/s1.
What are the key properties of (1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
(1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 399.90 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135309804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).