N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide

C16H23ClN2O3S — CID 2983891

IUPACN-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide
SMILESCC(C(=O)N1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O3S/c1-13(16(20)18-11-5-3-4-6-12-18)19(23(2,21)22)15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyLFIJNFKDTIAYFU-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.90
Rot. Bonds4

About N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide

N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide (PubChem CID 2983891) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide
PubChem CID2983891
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide
SMILESCC(C(=O)N1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O3S/c1-13(16(20)18-11-5-3-4-6-12-18)19(23(2,21)22)15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyLFIJNFKDTIAYFU-UHFFFAOYSA-N
XLogP2.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide?
The IUPAC name of N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide (CID 2983891) is N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide is CC(C(=O)N1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide?
The InChIKey is LFIJNFKDTIAYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-13(16(20)18-11-5-3-4-6-12-18)19(23(2,21)22)15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide?
N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide has a molecular weight of 358.89 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 2983891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).