2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide

C12H18ClNO3S — CID 65012504

IUPAC2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide
SMILESCCCC(COc1ccc(Cl)cc1)CS(N)(=O)=O
InChIInChI=1S/C12H18ClNO3S/c1-2-3-10(9-18(14,15)16)8-17-12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H2,14,15,16)
InChIKeyJKTMIPRNGZIRRS-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.42
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide

2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide (PubChem CID 65012504) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide
PubChem CID65012504
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC Name2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide
SMILESCCCC(COc1ccc(Cl)cc1)CS(N)(=O)=O
InChIInChI=1S/C12H18ClNO3S/c1-2-3-10(9-18(14,15)16)8-17-12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H2,14,15,16)
InChIKeyJKTMIPRNGZIRRS-UHFFFAOYSA-N
XLogP2.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenoxy)methyl]pentane-1-sulfonamide
CID 65013265
2-[(2,4,5-trichlorophenoxy)methyl]pentane-1-sulfonamide
CID 65013064
2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride
CID 65012648
2-(phenoxymethyl)pentane-1-sulfonyl chloride
CID 65012905
2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012608
2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide
CID 65013023
2-[(2-bromo-4-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012663
2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012969
2-(phenylmethoxymethyl)pentane-1-sulfonamide
CID 65013117
2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide
CID 65012972
2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide
CID 82827167
2-[(3-ethoxyphenoxy)methyl]pentane-1-sulfonyl chloride
CID 65012961

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide (CID 65012504) is 2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide is CCCC(COc1ccc(Cl)cc1)CS(N)(=O)=O.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide?
The InChIKey is JKTMIPRNGZIRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-2-3-10(9-18(14,15)16)8-17-12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H2,14,15,16).
What are the key properties of 2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide?
2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide is sourced from PubChem (CID 65012504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).