N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide

C11H16ClNO2S2 — CID 115365134

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(CCl)CCCC1)c1cccs1
InChIInChI=1S/C11H16ClNO2S2/c12-8-11(5-1-2-6-11)9-13-17(14,15)10-4-3-7-16-10/h3-4,7,13H,1-2,5-6,8-9H2
InChIKeyPEWOVRDKMZUAJK-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.83
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide

N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide (PubChem CID 115365134) has the molecular formula C11H16ClNO2S2 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide
PubChem CID115365134
Molecular FormulaC11H16ClNO2S2
Molecular Weight293.84 g/mol
Exact Mass293.03
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(CCl)CCCC1)c1cccs1
InChIInChI=1S/C11H16ClNO2S2/c12-8-11(5-1-2-6-11)9-13-17(14,15)10-4-3-7-16-10/h3-4,7,13H,1-2,5-6,8-9H2
InChIKeyPEWOVRDKMZUAJK-UHFFFAOYSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide
CID 103970067
N-[(1-phenylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 42269285
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 110416686
N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102694040
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
CID 91817514
4-methyl-1-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115441094
N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 110369851
2-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluorobenzenesulfonamide
CID 105400715
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 113444051
N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 110370165
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
N-(1-methylcyclopropyl)thiophene-2-sulfonamide
CID 130660498

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide (CID 115365134) is N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1(CCl)CCCC1)c1cccs1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide?
The InChIKey is PEWOVRDKMZUAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S2/c12-8-11(5-1-2-6-11)9-13-17(14,15)10-4-3-7-16-10/h3-4,7,13H,1-2,5-6,8-9H2.
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide has a molecular weight of 293.84 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 115365134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).