3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide

C19H20ClN3O2S — CID 55904626

IUPAC3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1Cl
InChIInChI=1S/C19H20ClN3O2S/c20-19-11-18(8-7-15(19)12-21)26(24,25)22-13-16-5-1-2-6-17(16)14-23-9-3-4-10-23/h1-2,5-8,11,22H,3-4,9-10,13-14H2
InChIKeyDILFWHNAICFIOW-UHFFFAOYSA-N
MW389.91 g/mol
LogP3.29
Rot. Bonds6

About 3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide

3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 55904626) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID55904626
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1Cl
InChIInChI=1S/C19H20ClN3O2S/c20-19-11-18(8-7-15(19)12-21)26(24,25)22-13-16-5-1-2-6-17(16)14-23-9-3-4-10-23/h1-2,5-8,11,22H,3-4,9-10,13-14H2
InChIKeyDILFWHNAICFIOW-UHFFFAOYSA-N
XLogP3.29
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 115588749
3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 26542199
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 26542141
4-bromo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 38258362
2-oxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 9452865
3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 55703524
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
3-chloro-4-cyano-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 51115598
3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
CID 106442080
3-chloro-4-cyano-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737647
3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide
CID 115690473
2-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 38258386

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide (CID 55904626) is 3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is DILFWHNAICFIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c20-19-11-18(8-7-15(19)12-21)26(24,25)22-13-16-5-1-2-6-17(16)14-23-9-3-4-10-23/h1-2,5-8,11,22H,3-4,9-10,13-14H2.
What are the key properties of 3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 389.91 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55904626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).