N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide

C8H12ClNO2S2 — CID 63397170

IUPACN-(2-chloropropyl)-N-methylthiophene-2-sulfonamide
SMILESCC(Cl)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C8H12ClNO2S2/c1-7(9)6-10(2)14(11,12)8-4-3-5-13-8/h3-5,7H,6H2,1-2H3
InChIKeyITEYDCDIFHEKHD-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.00
Rot. Bonds4

About N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide

N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide (PubChem CID 63397170) has the molecular formula C8H12ClNO2S2 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-N-methylthiophene-2-sulfonamide
PubChem CID63397170
Molecular FormulaC8H12ClNO2S2
Molecular Weight253.78 g/mol
Exact Mass253.00
IUPAC NameN-(2-chloropropyl)-N-methylthiophene-2-sulfonamide
SMILESCC(Cl)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C8H12ClNO2S2/c1-7(9)6-10(2)14(11,12)8-4-3-5-13-8/h3-5,7H,6H2,1-2H3
InChIKeyITEYDCDIFHEKHD-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.00
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-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
CID 43573487
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 47020933
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 63396974
N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide
CID 76928975
N-(2-bromoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 80671711
N-(3-amino-2,2-dimethylpropyl)-N-methylthiophene-2-sulfonamide;hydrochloride
CID 119991511
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79987976

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide (CID 63397170) is N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide is CC(Cl)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is ITEYDCDIFHEKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2S2/c1-7(9)6-10(2)14(11,12)8-4-3-5-13-8/h3-5,7H,6H2,1-2H3.
What are the key properties of N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide?
N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 253.78 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 63397170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).