N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide

C26H36N4O3S — CID 92872204

IUPACN-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC[C@H](C)C3)ccc2N2CCNCC2)cc1
InChIInChI=1S/C26H36N4O3S/c1-3-5-21-7-10-23(11-8-21)34(32,33)28-24-18-22(26(31)30-15-4-6-20(2)19-30)9-12-25(24)29-16-13-27-14-17-29/h7-12,18,20,27-28H,3-6,13-17,19H2,1-2H3/t20-/m0/s1
InChIKeyMPVCXYFQMLWKHO-FQEVSTJZSA-N
MW484.67 g/mol
LogP3.72
Rot. Bonds7

About N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide

N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide (PubChem CID 92872204) has the molecular formula C26H36N4O3S and a molecular weight of 484.67 g/mol. Its IUPAC name is N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide
PubChem CID92872204
Molecular FormulaC26H36N4O3S
Molecular Weight484.67 g/mol
Exact Mass484.25
IUPAC NameN-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC[C@H](C)C3)ccc2N2CCNCC2)cc1
InChIInChI=1S/C26H36N4O3S/c1-3-5-21-7-10-23(11-8-21)34(32,33)28-24-18-22(26(31)30-15-4-6-20(2)19-30)9-12-25(24)29-16-13-27-14-17-29/h7-12,18,20,27-28H,3-6,13-17,19H2,1-2H3/t20-/m0/s1
InChIKeyMPVCXYFQMLWKHO-FQEVSTJZSA-N
XLogP3.72
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 46333184
N-[5-(azepane-1-carbonyl)-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146059195
4-methyl-N-[5-(4-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058991
N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333755
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
4-fluoro-N-[5-(morpholine-4-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 46333186
4-bromo-N-[5-(morpholine-4-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 46333177
N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061537
4-chloro-N-[2-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058952
3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333723
N-ethyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059399
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872260

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide (CID 92872204) is N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC[C@H](C)C3)ccc2N2CCNCC2)cc1.
What is the InChIKey of N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide?
The InChIKey is MPVCXYFQMLWKHO-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H36N4O3S/c1-3-5-21-7-10-23(11-8-21)34(32,33)28-24-18-22(26(31)30-15-4-6-20(2)19-30)9-12-25(24)29-16-13-27-14-17-29/h7-12,18,20,27-28H,3-6,13-17,19H2,1-2H3/t20-/m0/s1.
What are the key properties of N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide?
N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide has a molecular weight of 484.67 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 92872204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).