4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide

C14H16ClN3O3S2 — CID 2054430

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide
SMILESCN(CCCC(=O)Nc1nccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O3S2/c1-18(23(20,21)12-6-4-11(15)5-7-12)9-2-3-13(19)17-14-16-8-10-22-14/h4-8,10H,2-3,9H2,1H3,(H,16,17,19)
InChIKeyYWGLXXUNDUYRRT-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.84
Rot. Bonds7

About 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 2054430) has the molecular formula C14H16ClN3O3S2 and a molecular weight of 373.89 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide
PubChem CID2054430
Molecular FormulaC14H16ClN3O3S2
Molecular Weight373.89 g/mol
Exact Mass373.03
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide
SMILESCN(CCCC(=O)Nc1nccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O3S2/c1-18(23(20,21)12-6-4-11(15)5-7-12)9-2-3-13(19)17-14-16-8-10-22-14/h4-8,10H,2-3,9H2,1H3,(H,16,17,19)
InChIKeyYWGLXXUNDUYRRT-UHFFFAOYSA-N
XLogP2.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide (CID 2054430) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide is CN(CCCC(=O)Nc1nccs1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is YWGLXXUNDUYRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S2/c1-18(23(20,21)12-6-4-11(15)5-7-12)9-2-3-13(19)17-14-16-8-10-22-14/h4-8,10H,2-3,9H2,1H3,(H,16,17,19).
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 373.89 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2054430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).