5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide

C11H9ClN4O2S3 — CID 65452961

IUPAC5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2c(Cl)ccc3nsnc23)s1
InChIInChI=1S/C11H9ClN4O2S3/c12-7-2-3-8-11(15-20-14-8)10(7)16-21(17,18)9-4-1-6(5-13)19-9/h1-4,16H,5,13H2
InChIKeyVJCBWPMNCMXHAZ-UHFFFAOYSA-N
MW360.87 g/mol
LogP2.67
Rot. Bonds4

About 5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide

5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide (PubChem CID 65452961) has the molecular formula C11H9ClN4O2S3 and a molecular weight of 360.87 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide
PubChem CID65452961
Molecular FormulaC11H9ClN4O2S3
Molecular Weight360.87 g/mol
Exact Mass359.96
IUPAC Name5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2c(Cl)ccc3nsnc23)s1
InChIInChI=1S/C11H9ClN4O2S3/c12-7-2-3-8-11(15-20-14-8)10(7)16-21(17,18)9-4-1-6(5-13)19-9/h1-4,16H,5,13H2
InChIKeyVJCBWPMNCMXHAZ-UHFFFAOYSA-N
XLogP2.67
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide (CID 65452961) is 5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)Nc2c(Cl)ccc3nsnc23)s1.
What is the InChIKey of 5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is VJCBWPMNCMXHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S3/c12-7-2-3-8-11(15-20-14-8)10(7)16-21(17,18)9-4-1-6(5-13)19-9/h1-4,16H,5,13H2.
What are the key properties of 5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 360.87 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 65452961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).