1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole

C15H10ClF2NO3S — CID 142393270

IUPAC1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole
SMILESO=S(=O)(c1ccccc1)n1ccc2ccc(Cl)c(OC(F)F)c21
InChIInChI=1S/C15H10ClF2NO3S/c16-12-7-6-10-8-9-19(13(10)14(12)22-15(17)18)23(20,21)11-4-2-1-3-5-11/h1-9,15H
InChIKeyHKRZIAYVCUOITD-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.13
Rot. Bonds4

About 1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole

1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole (PubChem CID 142393270) has the molecular formula C15H10ClF2NO3S and a molecular weight of 357.77 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole
PubChem CID142393270
Molecular FormulaC15H10ClF2NO3S
Molecular Weight357.77 g/mol
Exact Mass357.00
IUPAC Name1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole
SMILESO=S(=O)(c1ccccc1)n1ccc2ccc(Cl)c(OC(F)F)c21
InChIInChI=1S/C15H10ClF2NO3S/c16-12-7-6-10-8-9-19(13(10)14(12)22-15(17)18)23(20,21)11-4-2-1-3-5-11/h1-9,15H
InChIKeyHKRZIAYVCUOITD-UHFFFAOYSA-N
XLogP4.13
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-4-chloroindole
CID 11716255
1-(benzenesulfonyl)-7-bromoindole
CID 46738223
1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine
CID 164886533
1-(benzenesulfonyl)-3-chloropyrrole-2-carbaldehyde
CID 23510477
3-[1-(benzenesulfonyl)indol-7-yl]oxypropan-1-amine
CID 69368603
3,6-dichloro-2-(difluoromethoxy)benzaldehyde
CID 121228177
1-(benzenesulfonyl)-3-bromo-6,7-dichloroindole
CID 170427261
1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline
CID 15474221
1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine
CID 18176436
1-(4-chlorophenyl)sulfonylindole
CID 4689237
1-(benzenesulfonyl)-6-chloropyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 155342158
1-(benzenesulfonyl)indole-6-carbaldehyde
CID 10731848

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole?
The IUPAC name of 1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole (CID 142393270) is 1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole?
The canonical SMILES for 1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole is O=S(=O)(c1ccccc1)n1ccc2ccc(Cl)c(OC(F)F)c21.
What is the InChIKey of 1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole?
The InChIKey is HKRZIAYVCUOITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO3S/c16-12-7-6-10-8-9-19(13(10)14(12)22-15(17)18)23(20,21)11-4-2-1-3-5-11/h1-9,15H.
What are the key properties of 1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole?
1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole has a molecular weight of 357.77 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole is sourced from PubChem (CID 142393270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).