N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide

C20H26ClN3O2S — CID 67303784

IUPACN-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(NN3CCCCC3)c2)cc1
InChIInChI=1S/C20H26ClN3O2S/c1-15(2)16-6-9-18(10-7-16)27(25,26)23-17-8-11-19(21)20(14-17)22-24-12-4-3-5-13-24/h6-11,14-15,22-23H,3-5,12-13H2,1-2H3
InChIKeyAHHISAWLJSANDT-UHFFFAOYSA-N
MW407.97 g/mol
LogP5.08
Rot. Bonds6

About N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide

N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 67303784) has the molecular formula C20H26ClN3O2S and a molecular weight of 407.97 g/mol. Its IUPAC name is N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID67303784
Molecular FormulaC20H26ClN3O2S
Molecular Weight407.97 g/mol
Exact Mass407.14
IUPAC NameN-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(NN3CCCCC3)c2)cc1
InChIInChI=1S/C20H26ClN3O2S/c1-15(2)16-6-9-18(10-7-16)27(25,26)23-17-8-11-19(21)20(14-17)22-24-12-4-3-5-13-24/h6-11,14-15,22-23H,3-5,12-13H2,1-2H3
InChIKeyAHHISAWLJSANDT-UHFFFAOYSA-N
XLogP5.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.97
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566
4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107613406
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
4-propan-2-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 67227253
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-butan-2-ylbenzenesulfonamide
CID 19684570
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-ylbenzenesulfonamide
CID 16943753
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
2-(azocan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024798
N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide
CID 8518583

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide (CID 67303784) is N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(NN3CCCCC3)c2)cc1.
What is the InChIKey of N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is AHHISAWLJSANDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2S/c1-15(2)16-6-9-18(10-7-16)27(25,26)23-17-8-11-19(21)20(14-17)22-24-12-4-3-5-13-24/h6-11,14-15,22-23H,3-5,12-13H2,1-2H3.
What are the key properties of N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide?
N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 407.97 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 67303784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).