1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine

C15H21ClN2O2S — CID 110708721

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H21ClN2O2S/c16-15-5-3-14(4-6-15)12-21(19,20)18-9-7-17(8-10-18)11-13-1-2-13/h3-6,13H,1-2,7-12H2
InChIKeyWNNJODCIBZOTDQ-UHFFFAOYSA-N
MW328.86 g/mol
LogP2.20
Rot. Bonds5

About 1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine

1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine (PubChem CID 110708721) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine
PubChem CID110708721
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.86 g/mol
Exact Mass328.10
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H21ClN2O2S/c16-15-5-3-14(4-6-15)12-21(19,20)18-9-7-17(8-10-18)11-13-1-2-13/h3-6,13H,1-2,7-12H2
InChIKeyWNNJODCIBZOTDQ-UHFFFAOYSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-Chlorobenzyl)sulfonyl]piperidine
CID 714986
1-[(4-Chlorobenzyl)sulfonyl]-4-methylpiperazine
CID 2738373
1-[(2-Chlorophenyl)methylsulfonyl]-4-methylpiperazine
CID 2989467
Piperidine, 1-[[(2-chlorophenyl)methyl]sulfonyl]-4-methyl-
CID 715211
1-[(4-Chlorobenzyl)sulfonyl]pyrrolidine
CID 2229593
1-[(4-Chlorobenzyl)sulfonyl]-3-methylpiperidine
CID 2974425
1-[(2-Chlorophenyl)methylsulfonyl]-4-ethylpiperazine
CID 2985596
1-[(2-Chlorobenzyl)sulfonyl]-2-methylpiperidine
CID 2990591
1-(4-Chlorophenyl)-N-[2-(Diethylamino)ethyl]methanesulfonamide
CID 71677773
1-Benzyl-4-[(4-chlorobenzyl)sulfonyl]piperazine
CID 2225570
1-[(2-Chlorobenzyl)sulfonyl]-2-ethylpiperidine
CID 2992383
1-[(4-Chlorobenzyl)sulfonyl]azepane
CID 724076

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine (CID 110708721) is 1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine is O=S(=O)(Cc1ccc(Cl)cc1)N1CCN(CC2CC2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine?
The InChIKey is WNNJODCIBZOTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c16-15-5-3-14(4-6-15)12-21(19,20)18-9-7-17(8-10-18)11-13-1-2-13/h3-6,13H,1-2,7-12H2.
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine?
1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine has a molecular weight of 328.86 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine is sourced from PubChem (CID 110708721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).