5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide

C19H20ClN3O2S2 — CID 42955169

IUPAC5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(c2ccc3c(c2)CCCC3)c2cccs2)c1Cl
InChIInChI=1S/C19H20ClN3O2S2/c1-23-12-21-19(18(23)20)27(24,25)22-17(16-7-4-10-26-16)15-9-8-13-5-2-3-6-14(13)11-15/h4,7-12,17,22H,2-3,5-6H2,1H3
InChIKeyHCVYOTUNNGMHQK-UHFFFAOYSA-N
MW421.98 g/mol
LogP4.08
Rot. Bonds5

About 5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide (PubChem CID 42955169) has the molecular formula C19H20ClN3O2S2 and a molecular weight of 421.98 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide
PubChem CID42955169
Molecular FormulaC19H20ClN3O2S2
Molecular Weight421.98 g/mol
Exact Mass421.07
IUPAC Name5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(c2ccc3c(c2)CCCC3)c2cccs2)c1Cl
InChIInChI=1S/C19H20ClN3O2S2/c1-23-12-21-19(18(23)20)27(24,25)22-17(16-7-4-10-26-16)15-9-8-13-5-2-3-6-14(13)11-15/h4,7-12,17,22H,2-3,5-6H2,1H3
InChIKeyHCVYOTUNNGMHQK-UHFFFAOYSA-N
XLogP4.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.98
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide
CID 166209049
5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide
CID 97046731
N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 129355139
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 24553065
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 55501382
5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
CID 43415294
5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
CID 46595754
5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide
CID 43415193
5-chloro-1-methyl-N-(1-naphthalen-2-ylethyl)imidazole-4-sulfonamide
CID 134035693
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 42923118
5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide
CID 35305898

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide (CID 42955169) is 5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC(c2ccc3c(c2)CCCC3)c2cccs2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is HCVYOTUNNGMHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S2/c1-23-12-21-19(18(23)20)27(24,25)22-17(16-7-4-10-26-16)15-9-8-13-5-2-3-6-14(13)11-15/h4,7-12,17,22H,2-3,5-6H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 421.98 g/mol, XLogP of 4.08, 5 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-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 42955169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).