N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide

C13H12Cl2N2O3S2 — CID 6503075

IUPACN-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1csc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H12Cl2N2O3S2/c1-17(2)22(19,20)9-6-12(21-7-9)13(18)16-11-5-8(14)3-4-10(11)15/h3-7H,1-2H3,(H,16,18)
InChIKeyJJVAFCRCBITMFV-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.56
Rot. Bonds4

About N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide

N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide (PubChem CID 6503075) has the molecular formula C13H12Cl2N2O3S2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
PubChem CID6503075
Molecular FormulaC13H12Cl2N2O3S2
Molecular Weight379.29 g/mol
Exact Mass377.97
IUPAC NameN-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1csc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H12Cl2N2O3S2/c1-17(2)22(19,20)9-6-12(21-7-9)13(18)16-11-5-8(14)3-4-10(11)15/h3-7H,1-2H3,(H,16,18)
InChIKeyJJVAFCRCBITMFV-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6503064
N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
CID 6503076
4-(dimethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide
CID 6503102
4-(dimethylsulfamoyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 6503057
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 63047654
3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6503094
N-(5-chloro-2-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 2664664
2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
6-(2,5-dichloroanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267654
2,5-dichloro-N-[2-(dimethylsulfamoyl)phenyl]benzamide
CID 55984214

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide (CID 6503075) is N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide is CN(C)S(=O)(=O)c1csc(C(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is JJVAFCRCBITMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S2/c1-17(2)22(19,20)9-6-12(21-7-9)13(18)16-11-5-8(14)3-4-10(11)15/h3-7H,1-2H3,(H,16,18).
What are the key properties of N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide?
N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 379.29 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 6503075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).