N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide

C12H11ClN2O5S3 — CID 154848330

IUPACN-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cs2)cc1
InChIInChI=1S/C12H11ClN2O5S3/c1-8(16)14-22(17,18)11-4-2-10(3-5-11)15-23(19,20)12-6-9(13)7-21-12/h2-7,15H,1H3,(H,14,16)
InChIKeySELRBJNCSHGIAB-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.03
Rot. Bonds5

About N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide

N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide (PubChem CID 154848330) has the molecular formula C12H11ClN2O5S3 and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide
PubChem CID154848330
Molecular FormulaC12H11ClN2O5S3
Molecular Weight394.88 g/mol
Exact Mass393.95
IUPAC NameN-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cs2)cc1
InChIInChI=1S/C12H11ClN2O5S3/c1-8(16)14-22(17,18)11-4-2-10(3-5-11)15-23(19,20)12-6-9(13)7-21-12/h2-7,15H,1H3,(H,14,16)
InChIKeySELRBJNCSHGIAB-UHFFFAOYSA-N
XLogP2.03
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide
CID 10789418
4-amino-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 61301108
N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
CID 10501408
N-[4-[[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 1319892
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
CID 4070537
N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 2471941
[(4-chlorothiophen-2-yl)-methylidene-oxo-λ6-sulfanyl]urea
CID 177035502
N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772945
bis([4-(acetylsulfamoyl)phenyl]azanide);dichloroplatinum(2+)
CID 6102185
N-(4-chlorophenyl)thiophene-3-sulfonamide
CID 86220695
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide (CID 154848330) is N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cs2)cc1.
What is the InChIKey of N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide?
The InChIKey is SELRBJNCSHGIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O5S3/c1-8(16)14-22(17,18)11-4-2-10(3-5-11)15-23(19,20)12-6-9(13)7-21-12/h2-7,15H,1H3,(H,14,16).
What are the key properties of N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide?
N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide has a molecular weight of 394.88 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide is sourced from PubChem (CID 154848330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).