N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide

C14H20ClNO4S2 — CID 7275916

IUPACN-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
SMILESCCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO4S2/c1-2-3-9-16(13-8-10-21(17,18)11-13)22(19,20)14-6-4-12(15)5-7-14/h4-7,13H,2-3,8-11H2,1H3/t13-/m1/s1
InChIKeyZEDVTFWQYJXCBF-CYBMUJFWSA-N
MW365.90 g/mol
LogP2.32
Rot. Bonds6

About N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide

N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide (PubChem CID 7275916) has the molecular formula C14H20ClNO4S2 and a molecular weight of 365.90 g/mol. Its IUPAC name is N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
PubChem CID7275916
Molecular FormulaC14H20ClNO4S2
Molecular Weight365.90 g/mol
Exact Mass365.05
IUPAC NameN-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
SMILESCCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO4S2/c1-2-3-9-16(13-8-10-21(17,18)11-13)22(19,20)14-6-4-12(15)5-7-14/h4-7,13H,2-3,8-11H2,1H3/t13-/m1/s1
InChIKeyZEDVTFWQYJXCBF-CYBMUJFWSA-N
XLogP2.32
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.90
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide with MolForge

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Related Compounds

N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-4-methylbenzenesulfonamide
CID 7452405
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260447
N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260448
N-butyl-3-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 129370560
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide
CID 7260297
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethylbenzenesulfonamide
CID 129370557
4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 110757494
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 7260423
2-[butyl-(1,1-dioxothiolan-3-yl)amino]-1-(4-chlorophenyl)ethanol
CID 111110029
3-[butyl-[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-4-methylbenzoic acid
CID 129360457
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55321883

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide?
The IUPAC name of N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide (CID 7275916) is N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide?
The canonical SMILES for N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide is CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide?
The InChIKey is ZEDVTFWQYJXCBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20ClNO4S2/c1-2-3-9-16(13-8-10-21(17,18)11-13)22(19,20)14-6-4-12(15)5-7-14/h4-7,13H,2-3,8-11H2,1H3/t13-/m1/s1.
What are the key properties of N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide?
N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide has a molecular weight of 365.90 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 7275916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).