1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide

C19H17Cl2N3O3S — CID 42956538

IUPAC1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
SMILESN#Cc1cccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H17Cl2N3O3S/c20-16-8-7-14(11-17(16)21)23-19(25)18-6-1-2-9-24(18)28(26,27)15-5-3-4-13(10-15)12-22/h3-5,7-8,10-11,18H,1-2,6,9H2,(H,23,25)
InChIKeyHNWQWOSUCOBDMP-UHFFFAOYSA-N
MW438.34 g/mol
LogP4.05
Rot. Bonds4

About 1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide

1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide (PubChem CID 42956538) has the molecular formula C19H17Cl2N3O3S and a molecular weight of 438.34 g/mol. Its IUPAC name is 1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
PubChem CID42956538
Molecular FormulaC19H17Cl2N3O3S
Molecular Weight438.34 g/mol
Exact Mass437.04
IUPAC Name1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
SMILESN#Cc1cccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H17Cl2N3O3S/c20-16-8-7-14(11-17(16)21)23-19(25)18-6-1-2-9-24(18)28(26,27)15-5-3-4-13(10-15)12-22/h3-5,7-8,10-11,18H,1-2,6,9H2,(H,23,25)
InChIKeyHNWQWOSUCOBDMP-UHFFFAOYSA-N
XLogP4.05
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 60539561
1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
CID 18077712
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
CID 2648526
1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide
CID 43041852
N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide
CID 60539560
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 40830483
N-(4-acetamido-2-chlorophenyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 56580125
(2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 1263901
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 46482849
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865547

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide (CID 42956538) is 1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide is N#Cc1cccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide?
The InChIKey is HNWQWOSUCOBDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S/c20-16-8-7-14(11-17(16)21)23-19(25)18-6-1-2-9-24(18)28(26,27)15-5-3-4-13(10-15)12-22/h3-5,7-8,10-11,18H,1-2,6,9H2,(H,23,25).
What are the key properties of 1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide?
1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide has a molecular weight of 438.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 42956538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).