N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

C27H39N3O3S — CID 46232588

IUPACN-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCN2CCN(c3ccccc3)CC2)CC2CCCCC2)cc1
InChIInChI=1S/C27H39N3O3S/c1-33-26-13-15-27(16-14-26)34(31,32)30(23-24-9-4-2-5-10-24)18-8-17-28-19-21-29(22-20-28)25-11-6-3-7-12-25/h3,6-7,11-16,24H,2,4-5,8-10,17-23H2,1H3
InChIKeyPAJUHBYYUOFCMD-UHFFFAOYSA-N
MW485.69 g/mol
LogP4.48
Rot. Bonds10

About N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 46232588) has the molecular formula C27H39N3O3S and a molecular weight of 485.69 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID46232588
Molecular FormulaC27H39N3O3S
Molecular Weight485.69 g/mol
Exact Mass485.27
IUPAC NameN-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCN2CCN(c3ccccc3)CC2)CC2CCCCC2)cc1
InChIInChI=1S/C27H39N3O3S/c1-33-26-13-15-27(16-14-26)34(31,32)30(23-24-9-4-2-5-10-24)18-8-17-28-19-21-29(22-20-28)25-11-6-3-7-12-25/h3,6-7,11-16,24H,2,4-5,8-10,17-23H2,1H3
InChIKeyPAJUHBYYUOFCMD-UHFFFAOYSA-N
XLogP4.48
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.69
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
N-[4-(diethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 841703
rac-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784696
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
CID 23604942
1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-methoxyphenyl)piperazine
CID 3860166
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
1-(2,3-Dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1147613
1-(3,4-Dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 1262214
1-(4-Butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 2921330
1-Benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 660773

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide (CID 46232588) is N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCN2CCN(c3ccccc3)CC2)CC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is PAJUHBYYUOFCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O3S/c1-33-26-13-15-27(16-14-26)34(31,32)30(23-24-9-4-2-5-10-24)18-8-17-28-19-21-29(22-20-28)25-11-6-3-7-12-25/h3,6-7,11-16,24H,2,4-5,8-10,17-23H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 485.69 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 46232588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).