N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide

C20H14ClN3O3S — CID 39915198

IUPACN-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide
SMILESN#C[C@@H](C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1
InChIInChI=1S/C20H14ClN3O3S/c21-15-7-9-16(10-8-15)24-28(26,27)17-5-3-4-14(12-17)20(25)18(13-22)19-6-1-2-11-23-19/h1-12,18,24H/t18-/m1/s1
InChIKeyNCPLCZKQXIXGTD-GOSISDBHSA-N
MW411.87 g/mol
LogP4.03
Rot. Bonds6

About N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide

N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide (PubChem CID 39915198) has the molecular formula C20H14ClN3O3S and a molecular weight of 411.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide
PubChem CID39915198
Molecular FormulaC20H14ClN3O3S
Molecular Weight411.87 g/mol
Exact Mass411.04
IUPAC NameN-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide
SMILESN#C[C@@H](C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1
InChIInChI=1S/C20H14ClN3O3S/c21-15-7-9-16(10-8-15)24-28(26,27)17-5-3-4-14(12-17)20(25)18(13-22)19-6-1-2-11-23-19/h1-12,18,24H/t18-/m1/s1
InChIKeyNCPLCZKQXIXGTD-GOSISDBHSA-N
XLogP4.03
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide (CID 39915198) is N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide is N#C[C@@H](C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1.
What is the InChIKey of N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide?
The InChIKey is NCPLCZKQXIXGTD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H14ClN3O3S/c21-15-7-9-16(10-8-15)24-28(26,27)17-5-3-4-14(12-17)20(25)18(13-22)19-6-1-2-11-23-19/h1-12,18,24H/t18-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide?
N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide has a molecular weight of 411.87 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(2S)-2-cyano-2-pyridin-2-ylacetyl]benzenesulfonamide is sourced from PubChem (CID 39915198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).