N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide

C22H19ClN4O3S — CID 46273821

IUPACN-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O3S/c23-16-6-8-17(9-7-16)25-21(28)12-13-24-31(29,30)18-10-11-19-20(14-18)27-22(26-19)15-4-2-1-3-5-15/h1-11,14,24H,12-13H2,(H,25,28)(H,26,27)
InChIKeyPAVALXGRYFLTLQ-UHFFFAOYSA-N
MW454.94 g/mol
LogP4.19
Rot. Bonds7

About N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide

N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide (PubChem CID 46273821) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide
PubChem CID46273821
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC NameN-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O3S/c23-16-6-8-17(9-7-16)25-21(28)12-13-24-31(29,30)18-10-11-19-20(14-18)27-22(26-19)15-4-2-1-3-5-15/h1-11,14,24H,12-13H2,(H,25,28)(H,26,27)
InChIKeyPAVALXGRYFLTLQ-UHFFFAOYSA-N
XLogP4.19
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332
N-butyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 122174787
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 22584796
N-(3-chlorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430107
2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 22552039
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 55347189
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
CID 52830653

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide (CID 46273821) is N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide?
The InChIKey is PAVALXGRYFLTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c23-16-6-8-17(9-7-16)25-21(28)12-13-24-31(29,30)18-10-11-19-20(14-18)27-22(26-19)15-4-2-1-3-5-15/h1-11,14,24H,12-13H2,(H,25,28)(H,26,27).
What are the key properties of N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide?
N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide has a molecular weight of 454.94 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide is sourced from PubChem (CID 46273821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).