4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide

C17H14ClN3O4S3 — CID 2388846

IUPAC4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide
SMILESO=S1(=O)CCN2C(c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)=CSC2=N1
InChIInChI=1S/C17H14ClN3O4S3/c18-13-3-7-15(8-4-13)28(24,25)19-14-5-1-12(2-6-14)16-11-26-17-20-27(22,23)10-9-21(16)17/h1-8,11,19H,9-10H2
InChIKeyLFGCASSQWYXSBL-UHFFFAOYSA-N
MW455.97 g/mol
LogP3.19
Rot. Bonds4

About 4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide

4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 2388846) has the molecular formula C17H14ClN3O4S3 and a molecular weight of 455.97 g/mol. Its IUPAC name is 4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide
PubChem CID2388846
Molecular FormulaC17H14ClN3O4S3
Molecular Weight455.97 g/mol
Exact Mass454.98
IUPAC Name4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide
SMILESO=S1(=O)CCN2C(c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)=CSC2=N1
InChIInChI=1S/C17H14ClN3O4S3/c18-13-3-7-15(8-4-13)28(24,25)19-14-5-1-12(2-6-14)16-11-26-17-20-27(22,23)10-9-21(16)17/h1-8,11,19H,9-10H2
InChIKeyLFGCASSQWYXSBL-UHFFFAOYSA-N
XLogP3.19
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide with MolForge

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-(4-chlorophenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694496
4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
CID 110732614
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide
CID 15563871
4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide
CID 10287501
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide (CID 2388846) is 4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide is O=S1(=O)CCN2C(c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)=CSC2=N1.
What is the InChIKey of 4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is LFGCASSQWYXSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S3/c18-13-3-7-15(8-4-13)28(24,25)19-14-5-1-12(2-6-14)16-11-26-17-20-27(22,23)10-9-21(16)17/h1-8,11,19H,9-10H2.
What are the key properties of 4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide?
4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 455.97 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2388846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).