N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide

C13H20BrNO2S2 — CID 106135842

IUPACN-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCCC(Br)C2)s1
InChIInChI=1S/C13H20BrNO2S2/c1-2-12-6-7-13(18-12)19(16,17)15-9-10-4-3-5-11(14)8-10/h6-7,10-11,15H,2-5,8-9H2,1H3
InChIKeySQNVMXMWAIZPBB-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.54
Rot. Bonds5

About N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide

N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 106135842) has the molecular formula C13H20BrNO2S2 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide
PubChem CID106135842
Molecular FormulaC13H20BrNO2S2
Molecular Weight366.35 g/mol
Exact Mass365.01
IUPAC NameN-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCCC(Br)C2)s1
InChIInChI=1S/C13H20BrNO2S2/c1-2-12-6-7-13(18-12)19(16,17)15-9-10-4-3-5-11(14)8-10/h6-7,10-11,15H,2-5,8-9H2,1H3
InChIKeySQNVMXMWAIZPBB-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.54
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-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 66007182
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide
CID 113271283
N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide
CID 106134969
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554
N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 106135049
N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide
CID 47304567
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 16887547
2-bromo-N-[(3-bromocyclohexyl)methyl]benzenesulfonamide
CID 114148306
N-(cyclopentylmethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
CID 106027132
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 106367504

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide (CID 106135842) is N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC2CCCC(Br)C2)s1.
What is the InChIKey of N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is SQNVMXMWAIZPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2S2/c1-2-12-6-7-13(18-12)19(16,17)15-9-10-4-3-5-11(14)8-10/h6-7,10-11,15H,2-5,8-9H2,1H3.
What are the key properties of N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide?
N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 366.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 106135842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).