N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide

C21H28N2O4S2 — CID 19684397

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C21H28N2O4S2/c1-3-4-18-5-9-20(10-6-18)28(24,25)22-19-7-11-21(12-8-19)29(26,27)23-15-13-17(2)14-16-23/h5-12,17,22H,3-4,13-16H2,1-2H3
InChIKeyKDJPVQXQDBOUGP-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.86
Rot. Bonds7

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide (PubChem CID 19684397) has the molecular formula C21H28N2O4S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide
PubChem CID19684397
Molecular FormulaC21H28N2O4S2
Molecular Weight436.60 g/mol
Exact Mass436.15
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C21H28N2O4S2/c1-3-4-18-5-9-20(10-6-18)28(24,25)22-19-7-11-21(12-8-19)29(26,27)23-15-13-17(2)14-16-23/h5-12,17,22H,3-4,13-16H2,1-2H3
InChIKeyKDJPVQXQDBOUGP-UHFFFAOYSA-N
XLogP3.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline
CID 63626359
1-[4-(3-chloropropyl)phenyl]sulfonyl-4-methylpiperidine
CID 28719601
1-[4-(2-hydroxyethyl)phenyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]thiourea
CID 17349490
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3611644
N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
CID 177246502
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
CID 90589463

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide (CID 19684397) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide?
The InChIKey is KDJPVQXQDBOUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S2/c1-3-4-18-5-9-20(10-6-18)28(24,25)22-19-7-11-21(12-8-19)29(26,27)23-15-13-17(2)14-16-23/h5-12,17,22H,3-4,13-16H2,1-2H3.
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide has a molecular weight of 436.60 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 19684397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).