1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide

C16H16ClN3O2S — CID 110869456

IUPAC1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
SMILESCc1nc2ccc(N(C)S(=O)(=O)Cc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C16H16ClN3O2S/c1-11-18-15-8-7-13(9-16(15)19-11)20(2)23(21,22)10-12-5-3-4-6-14(12)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKMJMZUOBTOEMEF-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.49
Rot. Bonds4

About 1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide

1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide (PubChem CID 110869456) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
PubChem CID110869456
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
SMILESCc1nc2ccc(N(C)S(=O)(=O)Cc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C16H16ClN3O2S/c1-11-18-15-8-7-13(9-16(15)19-11)20(2)23(21,22)10-12-5-3-4-6-14(12)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKMJMZUOBTOEMEF-UHFFFAOYSA-N
XLogP3.49
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide (CID 110869456) is 1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide is Cc1nc2ccc(N(C)S(=O)(=O)Cc3ccccc3Cl)cc2[nH]1.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide?
The InChIKey is KMJMZUOBTOEMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-11-18-15-8-7-13(9-16(15)19-11)20(2)23(21,22)10-12-5-3-4-6-14(12)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide?
1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide has a molecular weight of 349.84 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide is sourced from PubChem (CID 110869456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).