N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide

C17H19NO5S2 — CID 21206459

IUPACN-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(C2CCS(=O)(=O)C2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO5S2/c1-23-16-9-7-14(8-10-16)18(15-11-12-24(19,20)13-15)25(21,22)17-5-3-2-4-6-17/h2-10,15H,11-13H2,1H3
InChIKeyUGCAUOFVMMAXRQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.08
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 21206459) has the molecular formula C17H19NO5S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID21206459
Molecular FormulaC17H19NO5S2
Molecular Weight381.48 g/mol
Exact Mass381.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(C2CCS(=O)(=O)C2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO5S2/c1-23-16-9-7-14(8-10-16)18(15-11-12-24(19,20)13-15)25(21,22)17-5-3-2-4-6-17/h2-10,15H,11-13H2,1H3
InChIKeyUGCAUOFVMMAXRQ-UHFFFAOYSA-N
XLogP2.08
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 21206461
4-[[(3R)-1,1-dioxothiolan-3-yl]-(4-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 95345896
2-[[(3R)-1,1-dioxothiolan-3-yl]-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 129360384
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 47130910
N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 3152086
5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 125434366
N-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46300359
N-cyano-N-(4-methoxyphenyl)benzenesulfonamide
CID 141484431
N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide
CID 102565825
4-chloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 91541603
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-methoxyphenyl)methyl-methylamino]-N-phenylacetamide
CID 8793233
N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 1251787

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide (CID 21206459) is N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(C2CCS(=O)(=O)C2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is UGCAUOFVMMAXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S2/c1-23-16-9-7-14(8-10-16)18(15-11-12-24(19,20)13-15)25(21,22)17-5-3-2-4-6-17/h2-10,15H,11-13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 381.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 21206459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).