3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide

C14H18ClNO5S2 — CID 25162845

IUPAC3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
SMILESCC1(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1
InChIInChI=1S/C14H18ClNO5S2/c1-14(7-9-22(18,19)10-14)16-13(17)6-8-23(20,21)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,16,17)
InChIKeyDRMQRDUNYMBSQQ-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.20
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide (PubChem CID 25162845) has the molecular formula C14H18ClNO5S2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
PubChem CID25162845
Molecular FormulaC14H18ClNO5S2
Molecular Weight379.89 g/mol
Exact Mass379.03
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
SMILESCC1(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1
InChIInChI=1S/C14H18ClNO5S2/c1-14(7-9-22(18,19)10-14)16-13(17)6-8-23(20,21)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,16,17)
InChIKeyDRMQRDUNYMBSQQ-UHFFFAOYSA-N
XLogP1.20
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide (CID 25162845) is 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide is CC1(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is DRMQRDUNYMBSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO5S2/c1-14(7-9-22(18,19)10-14)16-13(17)6-8-23(20,21)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,16,17).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 379.89 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 25162845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).