N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide

C21H26N2O3S — CID 22203693

IUPACN-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-6-17-7-13-20(14-8-17)27(25,26)22-19-11-9-18(10-12-19)21(24)23-15-4-3-5-16-23/h7-14,22H,2-6,15-16H2,1H3
InChIKeyCQOASBHMUKQWHV-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.07
Rot. Bonds6

About N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide

N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide (PubChem CID 22203693) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
PubChem CID22203693
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-6-17-7-13-20(14-8-17)27(25,26)22-19-11-9-18(10-12-19)21(24)23-15-4-3-5-16-23/h7-14,22H,2-6,15-16H2,1H3
InChIKeyCQOASBHMUKQWHV-UHFFFAOYSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20973149
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
4-ethyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 110602635
N-[4-(piperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 2995976
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2988153
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 22203721
4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide
CID 54037896
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide (CID 22203693) is N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide?
The InChIKey is CQOASBHMUKQWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-2-6-17-7-13-20(14-8-17)27(25,26)22-19-11-9-18(10-12-19)21(24)23-15-4-3-5-16-23/h7-14,22H,2-6,15-16H2,1H3.
What are the key properties of N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide?
N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 22203693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).