N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide

C17H12ClN3O5S2 — CID 26593085

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C17H12ClN3O5S2/c18-13-6-1-2-7-14(13)20-28(25,26)12-5-3-4-11(10-12)19-17(22)15-8-9-16(27-15)21(23)24/h1-10,20H,(H,19,22)
InChIKeyVZJNRRAHXVDTBI-UHFFFAOYSA-N
MW437.89 g/mol
LogP4.36
Rot. Bonds6

About N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide (PubChem CID 26593085) has the molecular formula C17H12ClN3O5S2 and a molecular weight of 437.89 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
PubChem CID26593085
Molecular FormulaC17H12ClN3O5S2
Molecular Weight437.89 g/mol
Exact Mass436.99
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C17H12ClN3O5S2/c18-13-6-1-2-7-14(13)20-28(25,26)12-5-3-4-11(10-12)19-17(22)15-8-9-16(27-15)21(23)24/h1-10,20H,(H,19,22)
InChIKeyVZJNRRAHXVDTBI-UHFFFAOYSA-N
XLogP4.36
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 4791478
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide
CID 26593187
2,5-dichloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26593136
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
CID 86891281
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-6-fluorobenzamide
CID 36717455
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(trifluoromethyl)benzamide
CID 32738196
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265874
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 5101960
N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide
CID 7688896
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrothiophene-2-carboxamide
CID 31474760
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 26593106

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide (CID 26593085) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide?
The InChIKey is VZJNRRAHXVDTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O5S2/c18-13-6-1-2-7-14(13)20-28(25,26)12-5-3-4-11(10-12)19-17(22)15-8-9-16(27-15)21(23)24/h1-10,20H,(H,19,22).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide has a molecular weight of 437.89 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 26593085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).