3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide

C11H15ClN4O5S4 — CID 59654504

IUPAC3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1snc(NS(=O)(=O)Nc2ccsc2Cl)c1O
InChIInChI=1S/C11H15ClN4O5S4/c1-3-16(4-2)24(18,19)11-8(17)10(13-23-11)15-25(20,21)14-7-5-6-22-9(7)12/h5-6,14,17H,3-4H2,1-2H3,(H,13,15)
InChIKeySGZKHWRUCGQPLX-UHFFFAOYSA-N
MW446.99 g/mol
LogP2.36
Rot. Bonds8

About 3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide

3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide (PubChem CID 59654504) has the molecular formula C11H15ClN4O5S4 and a molecular weight of 446.99 g/mol. Its IUPAC name is 3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide.

Molecular Properties

Compound Name3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide
PubChem CID59654504
Molecular FormulaC11H15ClN4O5S4
Molecular Weight446.99 g/mol
Exact Mass445.96
IUPAC Name3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1snc(NS(=O)(=O)Nc2ccsc2Cl)c1O
InChIInChI=1S/C11H15ClN4O5S4/c1-3-16(4-2)24(18,19)11-8(17)10(13-23-11)15-25(20,21)14-7-5-6-22-9(7)12/h5-6,14,17H,3-4H2,1-2H3,(H,13,15)
InChIKeySGZKHWRUCGQPLX-UHFFFAOYSA-N
XLogP2.36
TPSA128.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.99
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

Analyze 3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide with MolForge

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Related Compounds

N-tert-butyl-4-[(2-chlorothiophen-3-yl)sulfamoylamino]-3-hydroxy-N-methylthiophene-2-sulfonamide
CID 59654456
1-[5-(diethylsulfamoyl)-4-hydroxy-1-methylpyrazol-3-yl]-3-(2-methylthiophen-3-yl)urea
CID 163537625
4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide
CID 20795777
1-(2-chlorothiophen-3-yl)-3-[3-(diethylsulfamoyl)-2-methyl-4-oxo-3H-pyrazol-5-yl]urea
CID 11553263
N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide
CID 58736718
5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide
CID 58591545
4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide
CID 11560745
N,N-diethyl-4-[[4-[[(1R)-1-(furan-3-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-hydroxythiophene-2-sulfonamide
CID 24855019
N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide
CID 89297671
2-[[[4-(4-amino-2-methoxyanilino)-5-chloropyrimidin-2-yl]amino]methyl]-N,N-diethylthiophene-3-sulfonamide
CID 155621967
2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61072800
ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate
CID 61069107

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide?
The IUPAC name of 3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide (CID 59654504) is 3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide.
What is the SMILES notation for 3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide?
The canonical SMILES for 3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide is CCN(CC)S(=O)(=O)c1snc(NS(=O)(=O)Nc2ccsc2Cl)c1O.
What is the InChIKey of 3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide?
The InChIKey is SGZKHWRUCGQPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O5S4/c1-3-16(4-2)24(18,19)11-8(17)10(13-23-11)15-25(20,21)14-7-5-6-22-9(7)12/h5-6,14,17H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide?
3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide has a molecular weight of 446.99 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-diethyl-4-hydroxy-1,2-thiazole-5-sulfonamide is sourced from PubChem (CID 59654504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).