N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

C16H15ClN2O2S3 — CID 50847156

IUPACN-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1csc(-c2ccc(S(=O)(=O)NCc3cccc(Cl)c3)s2)n1
InChIInChI=1S/C16H15ClN2O2S3/c1-2-13-10-22-16(19-13)14-6-7-15(23-14)24(20,21)18-9-11-4-3-5-12(17)8-11/h3-8,10,18H,2,9H2,1H3
InChIKeyVRFRBMBGYOYRRV-UHFFFAOYSA-N
MW398.96 g/mol
LogP4.57
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 50847156) has the molecular formula C16H15ClN2O2S3 and a molecular weight of 398.96 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
PubChem CID50847156
Molecular FormulaC16H15ClN2O2S3
Molecular Weight398.96 g/mol
Exact Mass398.00
IUPAC NameN-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1csc(-c2ccc(S(=O)(=O)NCc3cccc(Cl)c3)s2)n1
InChIInChI=1S/C16H15ClN2O2S3/c1-2-13-10-22-16(19-13)14-6-7-15(23-14)24(20,21)18-9-11-4-3-5-12(17)8-11/h3-8,10,18H,2,9H2,1H3
InChIKeyVRFRBMBGYOYRRV-UHFFFAOYSA-N
XLogP4.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846990
N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846699
N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846922
5-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61026620
N-[(3-chlorophenyl)methyl]propane-1-sulfonamide
CID 47105679
5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 2738763
5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 23603449
2-amino-5-chloro-N-[(3-chlorophenyl)methyl]benzenesulfonamide
CID 61108918
3-amino-N-[(3-chlorophenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79885283
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 73440737
4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073401
4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328289

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 50847156) is N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is CCc1csc(-c2ccc(S(=O)(=O)NCc3cccc(Cl)c3)s2)n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is VRFRBMBGYOYRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S3/c1-2-13-10-22-16(19-13)14-6-7-15(23-14)24(20,21)18-9-11-4-3-5-12(17)8-11/h3-8,10,18H,2,9H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 398.96 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 50847156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).