5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide

C12H12ClNO3S2 — CID 2105632

IUPAC5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO3S2/c1-17-10-5-3-2-4-9(10)8-14-19(15,16)12-7-6-11(13)18-12/h2-7,14H,8H2,1H3
InChIKeyIZVXXJVZESWTBE-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.89
Rot. Bonds5

About 5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 2105632) has the molecular formula C12H12ClNO3S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID2105632
Molecular FormulaC12H12ClNO3S2
Molecular Weight317.82 g/mol
Exact Mass316.99
IUPAC Name5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO3S2/c1-17-10-5-3-2-4-9(10)8-14-19(15,16)12-7-6-11(13)18-12/h2-7,14H,8H2,1H3
InChIKeyIZVXXJVZESWTBE-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-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 2105632) is 5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide is COc1ccccc1CNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is IZVXXJVZESWTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S2/c1-17-10-5-3-2-4-9(10)8-14-19(15,16)12-7-6-11(13)18-12/h2-7,14H,8H2,1H3.
What are the key properties of 5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide 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-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2105632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).