N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide

C7H14ClNO4S2 — CID 115339009

IUPACN-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CS(=O)(=O)CC1Cl
InChIInChI=1S/C7H14ClNO4S2/c1-5(2)15(12,13)9-7-4-14(10,11)3-6(7)8/h5-7,9H,3-4H2,1-2H3
InChIKeyYEPQHVMJBRCNTQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP-0.28
Rot. Bonds3

About N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide

N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide (PubChem CID 115339009) has the molecular formula C7H14ClNO4S2 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide
PubChem CID115339009
Molecular FormulaC7H14ClNO4S2
Molecular Weight275.78 g/mol
Exact Mass275.01
IUPAC NameN-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CS(=O)(=O)CC1Cl
InChIInChI=1S/C7H14ClNO4S2/c1-5(2)15(12,13)9-7-4-14(10,11)3-6(7)8/h5-7,9H,3-4H2,1-2H3
InChIKeyYEPQHVMJBRCNTQ-UHFFFAOYSA-N
XLogP-0.28
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide
CID 130807083
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-propan-2-yloxyethanesulfonamide
CID 115339060
N-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide
CID 115339043
N-(4-chloro-1,1-dioxothiolan-3-yl)azepane-1-sulfonamide
CID 113290294
N-(4-chloro-1,1-dioxothiolan-3-yl)piperidine-1-sulfonamide
CID 113290309
2-chloro-N-(4-chloro-1,1-dioxothiolan-3-yl)propanamide
CID 130631308
N-(4-chloro-1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328222
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 129393220
N-[(3R,4R)-4-chloro-1,1-dioxothiolan-3-yl]-4-methylsulfanylbenzenesulfonamide
CID 51558961
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]-4-fluorobenzenesulfonamide
CID 6978528
1-(4-chloro-1,1-dioxothiolan-3-yl)-3-propan-2-ylthiourea
CID 3262753
N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]-2,4-dimethylbenzenesulfonamide
CID 129393214

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide?
The IUPAC name of N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide (CID 115339009) is N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide?
The canonical SMILES for N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CS(=O)(=O)CC1Cl.
What is the InChIKey of N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide?
The InChIKey is YEPQHVMJBRCNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO4S2/c1-5(2)15(12,13)9-7-4-14(10,11)3-6(7)8/h5-7,9H,3-4H2,1-2H3.
What are the key properties of N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide?
N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide has a molecular weight of 275.78 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 115339009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).