N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide

C21H16ClN3O3S — CID 146335135

IUPACN-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2ccccc2Cl)nc1-c1cccc2ccccc12
InChIInChI=1S/C21H16ClN3O3S/c1-25-13-18(21(26)24-29(27,28)19-12-5-4-11-17(19)22)23-20(25)16-10-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,24,26)
InChIKeyVLDBVXBACUZPQT-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.01
Rot. Bonds4

About N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide

N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide (PubChem CID 146335135) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide
PubChem CID146335135
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2ccccc2Cl)nc1-c1cccc2ccccc12
InChIInChI=1S/C21H16ClN3O3S/c1-25-13-18(21(26)24-29(27,28)19-12-5-4-11-17(19)22)23-20(25)16-10-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,24,26)
InChIKeyVLDBVXBACUZPQT-UHFFFAOYSA-N
XLogP4.01
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide
CID 155116421
2-(2,3-dichlorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
CID 130437812
2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116564
N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116240
2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide
CID 152842079
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 130437691
N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116486
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151
N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 147509340
2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116327
5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116473

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide (CID 146335135) is N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)c2ccccc2Cl)nc1-c1cccc2ccccc12.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide?
The InChIKey is VLDBVXBACUZPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-25-13-18(21(26)24-29(27,28)19-12-5-4-11-17(19)22)23-20(25)16-10-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,24,26).
What are the key properties of N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide?
N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide has a molecular weight of 425.90 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 146335135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).