4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine

C17H16ClN3O3S — CID 117058420

IUPAC4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1)N1CCOCC1
InChIInChI=1S/C17H16ClN3O3S/c18-13-3-6-15-16(11-13)20-17(19-15)12-1-4-14(5-2-12)25(22,23)21-7-9-24-10-8-21/h1-6,11H,7-10H2,(H,19,20)
InChIKeyMUVRGANFOLDDSQ-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.90
Rot. Bonds3

About 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine

4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine (PubChem CID 117058420) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
PubChem CID117058420
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1)N1CCOCC1
InChIInChI=1S/C17H16ClN3O3S/c18-13-3-6-15-16(11-13)20-17(19-15)12-1-4-14(5-2-12)25(22,23)21-7-9-24-10-8-21/h1-6,11H,7-10H2,(H,19,20)
InChIKeyMUVRGANFOLDDSQ-UHFFFAOYSA-N
XLogP2.90
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 103597241
methyl 2-(4-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxylate
CID 103597300
8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
CID 19896862
4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen
CID 142983845
2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 101077984
4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine
CID 71661881
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 16506603
4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride
CID 118364925
3-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)propanoate
CID 2117488
[(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 141198459

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine (CID 117058420) is 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine?
The InChIKey is MUVRGANFOLDDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c18-13-3-6-15-16(11-13)20-17(19-15)12-1-4-14(5-2-12)25(22,23)21-7-9-24-10-8-21/h1-6,11H,7-10H2,(H,19,20).
What are the key properties of 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine?
4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine has a molecular weight of 377.85 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 117058420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).