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

C8H16ClNO4S2 — CID 115339043

IUPACN-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CS(=O)(=O)CC1Cl
InChIInChI=1S/C8H16ClNO4S2/c1-2-3-4-16(13,14)10-8-6-15(11,12)5-7(8)9/h7-8,10H,2-6H2,1H3
InChIKeyBDJPSGSPQAZENW-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.11
Rot. Bonds5

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

N-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide (PubChem CID 115339043) has the molecular formula C8H16ClNO4S2 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide
PubChem CID115339043
Molecular FormulaC8H16ClNO4S2
Molecular Weight289.81 g/mol
Exact Mass289.02
IUPAC NameN-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CS(=O)(=O)CC1Cl
InChIInChI=1S/C8H16ClNO4S2/c1-2-3-4-16(13,14)10-8-6-15(11,12)5-7(8)9/h7-8,10H,2-6H2,1H3
InChIKeyBDJPSGSPQAZENW-UHFFFAOYSA-N
XLogP0.11
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.11
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-(4-chloro-1,1-dioxothiolan-3-yl)-2-propan-2-yloxyethanesulfonamide
CID 115339060
N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide
CID 115339009
N-(2-aminocycloheptyl)butane-1-sulfonamide
CID 63258980
N-(3-aminocyclobutyl)butane-1-sulfonamide
CID 43597856
N-(4-chloro-1,1-dioxothiolan-3-yl)azepane-1-sulfonamide
CID 113290294
N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide
CID 114632207
N-(4-chloro-1,1-dioxothiolan-3-yl)piperidine-1-sulfonamide
CID 113290309
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]propanamide
CID 41009565
O-decyl N-(4-chloro-1,1-dioxothiolan-3-yl)carbamothioate
CID 43828264
N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide
CID 178076415
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide?
The IUPAC name of N-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide (CID 115339043) is N-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide?
The canonical SMILES for N-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1CS(=O)(=O)CC1Cl.
What is the InChIKey of N-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide?
The InChIKey is BDJPSGSPQAZENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO4S2/c1-2-3-4-16(13,14)10-8-6-15(11,12)5-7(8)9/h7-8,10H,2-6H2,1H3.
What are the key properties of N-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide?
N-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide has a molecular weight of 289.81 g/mol, XLogP of 0.11, 5 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)butane-1-sulfonamide is sourced from PubChem (CID 115339043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).