3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

C13H14N4O3S2 — CID 768189

IUPAC3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H14N4O3S2/c18-12(15-13-16-14-9-21-13)10-4-3-5-11(8-10)22(19,20)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2,(H,15,16,18)
InChIKeySAAYATFFIULLMB-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.57
Rot. Bonds4

About 3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 768189) has the molecular formula C13H14N4O3S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID768189
Molecular FormulaC13H14N4O3S2
Molecular Weight338.41 g/mol
Exact Mass338.05
IUPAC Name3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H14N4O3S2/c18-12(15-13-16-14-9-21-13)10-4-3-5-11(8-10)22(19,20)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2,(H,15,16,18)
InChIKeySAAYATFFIULLMB-UHFFFAOYSA-N
XLogP1.57
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 768189) is 3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is SAAYATFFIULLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S2/c18-12(15-13-16-14-9-21-13)10-4-3-5-11(8-10)22(19,20)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2,(H,15,16,18).
What are the key properties of 3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 338.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 768189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).