5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide

C15H14N2O2S2 — CID 110726306

IUPAC5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)s1
InChIInChI=1S/C15H14N2O2S2/c1-12-7-8-15(20-12)21(18,19)16-13-5-4-6-14(11-13)17-9-2-3-10-17/h2-11,16H,1H3
InChIKeyYJFAQSUIFNAFPB-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.65
Rot. Bonds4

About 5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide

5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide (PubChem CID 110726306) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide
PubChem CID110726306
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)s1
InChIInChI=1S/C15H14N2O2S2/c1-12-7-8-15(20-12)21(18,19)16-13-5-4-6-14(11-13)17-9-2-3-10-17/h2-11,16H,1H3
InChIKeyYJFAQSUIFNAFPB-UHFFFAOYSA-N
XLogP3.65
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-sulfonamide
CID 38941309
3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 51135051
3-[(5-methylthiophen-2-yl)sulfonylamino]benzenecarbothioamide
CID 29298153
3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
CID 115339486
2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 110726303
5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986153
5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 46968756
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide
CID 122285184
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide (CID 110726306) is 5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)s1.
What is the InChIKey of 5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is YJFAQSUIFNAFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-12-7-8-15(20-12)21(18,19)16-13-5-4-6-14(11-13)17-9-2-3-10-17/h2-11,16H,1H3.
What are the key properties of 5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide?
5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 318.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 110726306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).