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

C14H14ClN3O3S2 — CID 2679167

IUPAC4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H14ClN3O3S2/c15-11-4-3-10(13(19)17-14-16-5-8-22-14)9-12(11)23(20,21)18-6-1-2-7-18/h3-5,8-9H,1-2,6-7H2,(H,16,17,19)
InChIKeyVLEMAYAZXXBPNL-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.83
Rot. Bonds4

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

4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2679167) has the molecular formula C14H14ClN3O3S2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2679167
Molecular FormulaC14H14ClN3O3S2
Molecular Weight371.87 g/mol
Exact Mass371.02
IUPAC Name4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H14ClN3O3S2/c15-11-4-3-10(13(19)17-14-16-5-8-22-14)9-12(11)23(20,21)18-6-1-2-7-18/h3-5,8-9H,1-2,6-7H2,(H,16,17,19)
InChIKeyVLEMAYAZXXBPNL-UHFFFAOYSA-N
XLogP2.83
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 2679167) is 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is VLEMAYAZXXBPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S2/c15-11-4-3-10(13(19)17-14-16-5-8-22-14)9-12(11)23(20,21)18-6-1-2-7-18/h3-5,8-9H,1-2,6-7H2,(H,16,17,19).
What are the key properties of 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 371.87 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2679167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).