N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide

C11H14BrCl2NO2S2 — CID 114293762

IUPACN-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14BrCl2NO2S2/c12-7-11(4-2-1-3-5-11)15-19(16,17)8-6-9(13)18-10(8)14/h6,15H,1-5,7H2
InChIKeyDFPVKZAZGHVJKE-UHFFFAOYSA-N
MW407.18 g/mol
LogP4.43
Rot. Bonds4

About N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide

N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 114293762) has the molecular formula C11H14BrCl2NO2S2 and a molecular weight of 407.18 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide
PubChem CID114293762
Molecular FormulaC11H14BrCl2NO2S2
Molecular Weight407.18 g/mol
Exact Mass404.90
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14BrCl2NO2S2/c12-7-11(4-2-1-3-5-11)15-19(16,17)8-6-9(13)18-10(8)14/h6,15H,1-5,7H2
InChIKeyDFPVKZAZGHVJKE-UHFFFAOYSA-N
XLogP4.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.18
LogP ≤ 54.43
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

2-[1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671577
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
CID 113295060
2,5-dichloro-N-(1-cyanocyclopentyl)thiophene-3-sulfonamide
CID 60660889
1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433117
N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 114293734
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114293763
5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
CID 114293728
3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
CID 113271024
N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide
CID 113271110
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 114297176
5-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-sulfonamide
CID 114297084

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide (CID 114293762) is N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide is O=S(=O)(NC1(CBr)CCCCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is DFPVKZAZGHVJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO2S2/c12-7-11(4-2-1-3-5-11)15-19(16,17)8-6-9(13)18-10(8)14/h6,15H,1-5,7H2.
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide?
N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 407.18 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 114293762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).