3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide

C14H15ClN2O3S2 — CID 2812461

IUPAC3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sccc1Cl
InChIInChI=1S/C14H15ClN2O3S2/c1-9-4-5-10(22(19,20)17(2)3)8-12(9)16-14(18)13-11(15)6-7-21-13/h4-8H,1-3H3,(H,16,18)
InChIKeyAAWGRJIDWAFSJN-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.21
Rot. Bonds4

About 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide

3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide (PubChem CID 2812461) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
PubChem CID2812461
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sccc1Cl
InChIInChI=1S/C14H15ClN2O3S2/c1-9-4-5-10(22(19,20)17(2)3)8-12(9)16-14(18)13-11(15)6-7-21-13/h4-8H,1-3H3,(H,16,18)
InChIKeyAAWGRJIDWAFSJN-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 80644972
2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide
CID 26522089
2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55406152
3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 103405078
N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110618400
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide
CID 24580810
[(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825203
[(2R)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825202
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 100775650

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide (CID 2812461) is 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide?
The InChIKey is AAWGRJIDWAFSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c1-9-4-5-10(22(19,20)17(2)3)8-12(9)16-14(18)13-11(15)6-7-21-13/h4-8H,1-3H3,(H,16,18).
What are the key properties of 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide?
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2812461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).