5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide

C16H16ClN3O2S2 — CID 166209049

IUPAC5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(Cc2ccccc2)c2cccs2)c1Cl
InChIInChI=1S/C16H16ClN3O2S2/c1-20-11-18-16(15(20)17)24(21,22)19-13(14-8-5-9-23-14)10-12-6-3-2-4-7-12/h2-9,11,13,19H,10H2,1H3
InChIKeyCVKLSPMKQGCPMN-UHFFFAOYSA-N
MW381.91 g/mol
LogP3.40
Rot. Bonds6

About 5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide (PubChem CID 166209049) has the molecular formula C16H16ClN3O2S2 and a molecular weight of 381.91 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide
PubChem CID166209049
Molecular FormulaC16H16ClN3O2S2
Molecular Weight381.91 g/mol
Exact Mass381.04
IUPAC Name5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(Cc2ccccc2)c2cccs2)c1Cl
InChIInChI=1S/C16H16ClN3O2S2/c1-20-11-18-16(15(20)17)24(21,22)19-13(14-8-5-9-23-14)10-12-6-3-2-4-7-12/h2-9,11,13,19H,10H2,1H3
InChIKeyCVKLSPMKQGCPMN-UHFFFAOYSA-N
XLogP3.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide
CID 97046731
N-(2-phenyl-1-thiophen-2-ylethyl)ethanesulfonamide
CID 56791791
5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
CID 43415294
5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide
CID 42955169
N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
CID 176725551
5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
CID 46595754
5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide
CID 35305898
5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide
CID 61395268
5-chloro-1-methyl-N-(1-naphthalen-2-ylethyl)imidazole-4-sulfonamide
CID 134035693
5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide
CID 62091697
5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide
CID 113431393
N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
CID 47164706

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide (CID 166209049) is 5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC(Cc2ccccc2)c2cccs2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide?
The InChIKey is CVKLSPMKQGCPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S2/c1-20-11-18-16(15(20)17)24(21,22)19-13(14-8-5-9-23-14)10-12-6-3-2-4-7-12/h2-9,11,13,19H,10H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide has a molecular weight of 381.91 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 166209049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).