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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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).