(4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide

C20H16ClNO4S — CID 135313344

IUPAC(4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2ccccc12)[C@H]1CCOc2c(Cl)cccc21
InChIInChI=1S/C20H16ClNO4S/c21-17-9-4-8-15-16(11-12-26-19(15)17)20(23)22-27(24,25)18-10-3-6-13-5-1-2-7-14(13)18/h1-10,16H,11-12H2,(H,22,23)/t16-/m0/s1
InChIKeyGKUCLPQLJIVWAQ-INIZCTEOSA-N
MW401.87 g/mol
LogP3.86
Rot. Bonds3

About (4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide

(4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 135313344) has the molecular formula C20H16ClNO4S and a molecular weight of 401.87 g/mol. Its IUPAC name is (4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name(4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID135313344
Molecular FormulaC20H16ClNO4S
Molecular Weight401.87 g/mol
Exact Mass401.05
IUPAC Name(4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2ccccc12)[C@H]1CCOc2c(Cl)cccc21
InChIInChI=1S/C20H16ClNO4S/c21-17-9-4-8-15-16(11-12-26-19(15)17)20(23)22-27(24,25)18-10-3-6-13-5-1-2-7-14(13)18/h1-10,16H,11-12H2,(H,22,23)/t16-/m0/s1
InChIKeyGKUCLPQLJIVWAQ-INIZCTEOSA-N
XLogP3.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of (4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide (CID 135313344) is (4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for (4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for (4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide is O=C(NS(=O)(=O)c1cccc2ccccc12)[C@H]1CCOc2c(Cl)cccc21.
What is the InChIKey of (4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is GKUCLPQLJIVWAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16ClNO4S/c21-17-9-4-8-15-16(11-12-26-19(15)17)20(23)22-27(24,25)18-10-3-6-13-5-1-2-7-14(13)18/h1-10,16H,11-12H2,(H,22,23)/t16-/m0/s1.
What are the key properties of (4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide?
(4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 401.87 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 135313344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).