N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide

C8H11BrClNO2S2 — CID 106441802

IUPACN-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
SMILESCN(CCCBr)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H11BrClNO2S2/c1-11(6-2-5-9)15(12,13)8-4-3-7(10)14-8/h3-4H,2,5-6H2,1H3
InChIKeyUZLGSWSQCDQVKJ-UHFFFAOYSA-N
MW332.67 g/mol
LogP2.81
Rot. Bonds5

About N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide

N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide (PubChem CID 106441802) has the molecular formula C8H11BrClNO2S2 and a molecular weight of 332.67 g/mol. Its IUPAC name is N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
PubChem CID106441802
Molecular FormulaC8H11BrClNO2S2
Molecular Weight332.67 g/mol
Exact Mass330.91
IUPAC NameN-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
SMILESCN(CCCBr)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H11BrClNO2S2/c1-11(6-2-5-9)15(12,13)8-4-3-7(10)14-8/h3-4H,2,5-6H2,1H3
InChIKeyUZLGSWSQCDQVKJ-UHFFFAOYSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 96667362
5-chloro-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
CID 74225766
2-[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]ethoxy]acetic acid
CID 59820139
N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 107206301
5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
CID 54999136
N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 78783696
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 61439859
N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide
CID 43550900
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 79716907
5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 134017189
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide (CID 106441802) is N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide is CN(CCCBr)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide?
The InChIKey is UZLGSWSQCDQVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClNO2S2/c1-11(6-2-5-9)15(12,13)8-4-3-7(10)14-8/h3-4H,2,5-6H2,1H3.
What are the key properties of N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide?
N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide has a molecular weight of 332.67 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106441802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).