5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one

C15H12ClN3O3S — CID 110714206

IUPAC5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCc4cc(Cl)ccc43)cc2[nH]1
InChIInChI=1S/C15H12ClN3O3S/c16-10-1-4-14-9(7-10)5-6-19(14)23(21,22)11-2-3-12-13(8-11)18-15(20)17-12/h1-4,7-8H,5-6H2,(H2,17,18,20)
InChIKeyMICHLDKKIYRBBY-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.26
Rot. Bonds2

About 5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one

5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 110714206) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID110714206
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCc4cc(Cl)ccc43)cc2[nH]1
InChIInChI=1S/C15H12ClN3O3S/c16-10-1-4-14-9(7-10)5-6-19(14)23(21,22)11-2-3-12-13(8-11)18-15(20)17-12/h1-4,7-8H,5-6H2,(H2,17,18,20)
InChIKeyMICHLDKKIYRBBY-UHFFFAOYSA-N
XLogP2.26
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide
CID 24622202
6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110406799
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole
CID 148988411
6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 95169419
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642503
2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid
CID 39832528
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide
CID 19164457
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 78873415
4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 110714201

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one (CID 110714206) is 5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(S(=O)(=O)N3CCc4cc(Cl)ccc43)cc2[nH]1.
What is the InChIKey of 5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MICHLDKKIYRBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c16-10-1-4-14-9(7-10)5-6-19(14)23(21,22)11-2-3-12-13(8-11)18-15(20)17-12/h1-4,7-8H,5-6H2,(H2,17,18,20).
What are the key properties of 5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one?
5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 349.80 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110714206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).