3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide

C17H17ClN4O2S — CID 55703524

IUPAC3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cc1Cl
InChIInChI=1S/C17H17ClN4O2S/c18-16-9-15(5-4-14(16)10-19)25(23,24)21-12-13-3-6-17(20-11-13)22-7-1-2-8-22/h3-6,9,11,21H,1-2,7-8,12H2
InChIKeyYNTSRPCAFNUSDM-UHFFFAOYSA-N
MW376.87 g/mol
LogP2.69
Rot. Bonds5

About 3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide

3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 55703524) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID55703524
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cc1Cl
InChIInChI=1S/C17H17ClN4O2S/c18-16-9-15(5-4-14(16)10-19)25(23,24)21-12-13-3-6-17(20-11-13)22-7-1-2-8-22/h3-6,9,11,21H,1-2,7-8,12H2
InChIKeyYNTSRPCAFNUSDM-UHFFFAOYSA-N
XLogP2.69
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35388850
3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 55735225
2,3-dichloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35389010
3-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzene-1,3-disulfonamide
CID 55913757
N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 35388894
3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55904626
2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55914778
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35388805
5-chloro-1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 55870765
3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 38529778
6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 55874135
6-chloro-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 55681512

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 55703524) is 3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is YNTSRPCAFNUSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c18-16-9-15(5-4-14(16)10-19)25(23,24)21-12-13-3-6-17(20-11-13)22-7-1-2-8-22/h3-6,9,11,21H,1-2,7-8,12H2.
What are the key properties of 3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide?
3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 376.87 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 55703524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).