5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

C12H12ClNO3S2 — CID 1259451

IUPAC5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C12H12ClNO3S2/c1-17-11-5-4-9(13)7-12(11)19(15,16)14-8-10-3-2-6-18-10/h2-7,14H,8H2,1H3
InChIKeyRPQGXJXGFWNFLU-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.89
Rot. Bonds5

About 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 1259451) has the molecular formula C12H12ClNO3S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID1259451
Molecular FormulaC12H12ClNO3S2
Molecular Weight317.82 g/mol
Exact Mass316.99
IUPAC Name5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C12H12ClNO3S2/c1-17-11-5-4-9(13)7-12(11)19(15,16)14-8-10-3-2-6-18-10/h2-7,14H,8H2,1H3
InChIKeyRPQGXJXGFWNFLU-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 1259451) is 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is RPQGXJXGFWNFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S2/c1-17-11-5-4-9(13)7-12(11)19(15,16)14-8-10-3-2-6-18-10/h2-7,14H,8H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 317.82 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1259451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).