5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide

C12H13ClN2O4S3 — CID 110601348

IUPAC5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(CCNS(=O)(=O)c1ccc(Cl)s1)Nc1ccccc1
InChIInChI=1S/C12H13ClN2O4S3/c13-11-6-7-12(20-11)22(18,19)14-8-9-21(16,17)15-10-4-2-1-3-5-10/h1-7,14-15H,8-9H2
InChIKeyVRMMDKJIPCTHMY-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.12
Rot. Bonds7

About 5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide (PubChem CID 110601348) has the molecular formula C12H13ClN2O4S3 and a molecular weight of 380.90 g/mol. Its IUPAC name is 5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide
PubChem CID110601348
Molecular FormulaC12H13ClN2O4S3
Molecular Weight380.90 g/mol
Exact Mass379.97
IUPAC Name5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(CCNS(=O)(=O)c1ccc(Cl)s1)Nc1ccccc1
InChIInChI=1S/C12H13ClN2O4S3/c13-11-6-7-12(20-11)22(18,19)14-8-9-21(16,17)15-10-4-2-1-3-5-10/h1-7,14-15H,8-9H2
InChIKeyVRMMDKJIPCTHMY-UHFFFAOYSA-N
XLogP2.12
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide
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N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide
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5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
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5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide
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5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide
CID 110606791
4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110408299
5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
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5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide (CID 110601348) is 5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide is O=S(=O)(CCNS(=O)(=O)c1ccc(Cl)s1)Nc1ccccc1.
What is the InChIKey of 5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is VRMMDKJIPCTHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S3/c13-11-6-7-12(20-11)22(18,19)14-8-9-21(16,17)15-10-4-2-1-3-5-10/h1-7,14-15H,8-9H2.
What are the key properties of 5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110601348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).