[4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone

C19H28N2O3S — CID 2099864

IUPAC[4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1
InChIInChI=1S/C19H28N2O3S/c1-16-10-14-20(15-11-16)19(22)17-6-8-18(9-7-17)25(23,24)21-12-4-2-3-5-13-21/h6-9,16H,2-5,10-15H2,1H3
InChIKeyPTQHWPDCPGOJGN-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.12
Rot. Bonds3

About [4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone

[4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 2099864) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is [4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID2099864
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name[4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1
InChIInChI=1S/C19H28N2O3S/c1-16-10-14-20(15-11-16)19(22)17-6-8-18(9-7-17)25(23,24)21-12-4-2-3-5-13-21/h6-9,16H,2-5,10-15H2,1H3
InChIKeyPTQHWPDCPGOJGN-UHFFFAOYSA-N
XLogP3.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-sulfamoylbenzamide
CID 4347
N-methyl-4-sulfamoylbenzamide
CID 4093508
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(benzylsulfonyl)-N-methylbenzamide Hydrochloride
CID 197240
Piperidine Derivative 22
CID 10029132
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
n-Propyl-4-sulfamoylbenzamide
CID 226552
N-Ethyl 4-sulfamylbenzamide
CID 10242881
4-Sulfamylbenzamide,N-hexyl
CID 11778627
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide
CID 135393499
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
CID 135393501
N-Butyl 4-sulfamylbenzamide
CID 10355056

Frequently Asked Questions

What is the IUPAC name of [4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone (CID 2099864) is [4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1.
What is the InChIKey of [4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is PTQHWPDCPGOJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-16-10-14-20(15-11-16)19(22)17-6-8-18(9-7-17)25(23,24)21-12-4-2-3-5-13-21/h6-9,16H,2-5,10-15H2,1H3.
What are the key properties of [4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
[4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 364.51 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepan-1-ylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 2099864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).