N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide

C12H12ClNO2S2 — CID 47389490

IUPACN-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide
SMILESCS(=O)(=O)NC(c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C12H12ClNO2S2/c1-18(15,16)14-12(10-6-7-17-8-10)9-2-4-11(13)5-3-9/h2-8,12,14H,1H3
InChIKeyIREPQUQHSUQFAX-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.04
Rot. Bonds4

About N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide

N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide (PubChem CID 47389490) has the molecular formula C12H12ClNO2S2 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide
PubChem CID47389490
Molecular FormulaC12H12ClNO2S2
Molecular Weight301.82 g/mol
Exact Mass301.00
IUPAC NameN-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide
SMILESCS(=O)(=O)NC(c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C12H12ClNO2S2/c1-18(15,16)14-12(10-6-7-17-8-10)9-2-4-11(13)5-3-9/h2-8,12,14H,1H3
InChIKeyIREPQUQHSUQFAX-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide (CID 47389490) is N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide is CS(=O)(=O)NC(c1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide?
The InChIKey is IREPQUQHSUQFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S2/c1-18(15,16)14-12(10-6-7-17-8-10)9-2-4-11(13)5-3-9/h2-8,12,14H,1H3.
What are the key properties of N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide?
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide has a molecular weight of 301.82 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide is sourced from PubChem (CID 47389490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).