N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide

C16H16N4O2S — CID 170856619

IUPACN-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
SMILESN#Cc1c(N2CCCC2)ccnc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N4O2S/c17-12-14-15(20-10-4-5-11-20)8-9-18-16(14)19-23(21,22)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-11H2,(H,18,19)
InChIKeyVSGPJOJDXXSQHD-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.35
Rot. Bonds4

About N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide

N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide (PubChem CID 170856619) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
PubChem CID170856619
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
SMILESN#Cc1c(N2CCCC2)ccnc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N4O2S/c17-12-14-15(20-10-4-5-11-20)8-9-18-16(14)19-23(21,22)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-11H2,(H,18,19)
InChIKeyVSGPJOJDXXSQHD-UHFFFAOYSA-N
XLogP2.35
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylsulfanyl-4-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 25058119
2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
CID 151808878
N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide
CID 142692187
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide
CID 67401886
N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 72718077
N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide
CID 140579946
4-cyano-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122317623
4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 54554515
N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide
CID 169372874
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile
CID 72697030

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide (CID 170856619) is N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide is N#Cc1c(N2CCCC2)ccnc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide?
The InChIKey is VSGPJOJDXXSQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c17-12-14-15(20-10-4-5-11-20)8-9-18-16(14)19-23(21,22)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-11H2,(H,18,19).
What are the key properties of N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide?
N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 170856619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).