2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide

C14H19Cl2NO3S — CID 65112969

IUPAC2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)NCC2(O)CCCC2)c1Cl
InChIInChI=1S/C14H19Cl2NO3S/c1-9-7-11(15)10(2)13(12(9)16)21(19,20)17-8-14(18)5-3-4-6-14/h7,17-18H,3-6,8H2,1-2H3
InChIKeyLTBGLXDUOCNWBY-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.19
Rot. Bonds4

About 2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide

2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide (PubChem CID 65112969) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide
PubChem CID65112969
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC Name2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)NCC2(O)CCCC2)c1Cl
InChIInChI=1S/C14H19Cl2NO3S/c1-9-7-11(15)10(2)13(12(9)16)21(19,20)17-8-14(18)5-3-4-6-14/h7,17-18H,3-6,8H2,1-2H3
InChIKeyLTBGLXDUOCNWBY-UHFFFAOYSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide (CID 65112969) is 2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)NCC2(O)CCCC2)c1Cl.
What is the InChIKey of 2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide?
The InChIKey is LTBGLXDUOCNWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c1-9-7-11(15)10(2)13(12(9)16)21(19,20)17-8-14(18)5-3-4-6-14/h7,17-18H,3-6,8H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide?
2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide has a molecular weight of 352.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1-hydroxycyclopentyl)methyl]-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 65112969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).