N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide

C9H12ClNO3S2 — CID 7131602

IUPACN-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)CCl)s1
InChIInChI=1S/C9H12ClNO3S2/c1-16(13,14)11-5-4-7-2-3-9(15-7)8(12)6-10/h2-3,11H,4-6H2,1H3
InChIKeyKIAJMSOJMQWKLZ-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.26
Rot. Bonds6

About N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide

N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 7131602) has the molecular formula C9H12ClNO3S2 and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID7131602
Molecular FormulaC9H12ClNO3S2
Molecular Weight281.79 g/mol
Exact Mass280.99
IUPAC NameN-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)CCl)s1
InChIInChI=1S/C9H12ClNO3S2/c1-16(13,14)11-5-4-7-2-3-9(15-7)8(12)6-10/h2-3,11H,4-6H2,1H3
InChIKeyKIAJMSOJMQWKLZ-UHFFFAOYSA-N
XLogP1.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide (CID 7131602) is N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(C(=O)CCl)s1.
What is the InChIKey of N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is KIAJMSOJMQWKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S2/c1-16(13,14)11-5-4-7-2-3-9(15-7)8(12)6-10/h2-3,11H,4-6H2,1H3.
What are the key properties of N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide?
N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 281.79 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 7131602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).