4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide

C21H25N3O2S — CID 33332114

IUPAC4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
SMILESCN(Cc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1
InChIInChI=1S/C21H25N3O2S/c1-24(19-8-3-2-4-9-19)16-18-7-5-6-10-21(18)23-27(25,26)20-13-11-17(15-22)12-14-20/h5-7,10-14,19,23H,2-4,8-9,16H2,1H3
InChIKeyHKGBDVNMMIGQIX-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.12
Rot. Bonds6

About 4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide

4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide (PubChem CID 33332114) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
PubChem CID33332114
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
SMILESCN(Cc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1
InChIInChI=1S/C21H25N3O2S/c1-24(19-8-3-2-4-9-19)16-18-7-5-6-10-21(18)23-27(25,26)20-13-11-17(15-22)12-14-20/h5-7,10-14,19,23H,2-4,8-9,16H2,1H3
InChIKeyHKGBDVNMMIGQIX-UHFFFAOYSA-N
XLogP4.12
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide
CID 36575306
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
CID 2470223
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride
CID 53350941
3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 36575327
methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 36575546
4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
CID 18129528
N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide
CID 9104665
4-[[cycloheptyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43409299
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 46554834
methyl 3-chloro-4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 52857530
4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650712
4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43213307

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide (CID 33332114) is 4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide is CN(Cc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1.
What is the InChIKey of 4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide?
The InChIKey is HKGBDVNMMIGQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-24(19-8-3-2-4-9-19)16-18-7-5-6-10-21(18)23-27(25,26)20-13-11-17(15-22)12-14-20/h5-7,10-14,19,23H,2-4,8-9,16H2,1H3.
What are the key properties of 4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide?
4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide has a molecular weight of 383.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 33332114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).